Library › Molecules › Anticancer drugs

Anticancer drugs: 138 3D models

Water, gases, sugars, nucleotides, amino acids, ions (real sizes 0.1–1 nm). Each one is a ready-made 3D model you can turn, recolour and place in a figure — open BioDioRama and type its name in the Library search.

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Doxorubicin — Red, naturally fluorescent anthracycline chemotherapy; intercalates DNA. The payload of Doxil, the first liposomal nanomedicine. C27H29NO11, 543.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Daunorubicin — Anthracycline for leukaemia; with cytarabine it forms the liposomal drug Vyxeos. C27H29NO10, 527.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Epirubicin — C27H29NO11, 543.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Idarubicin — C26H27NO9, 497.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Paclitaxel — Taxane that freezes microtubules; delivered as albumin nanoparticles (Abraxane) or polymeric micelles. C47H51NO14, 853.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Docetaxel — Semi-synthetic taxane used in breast, prostate and lung cancer; a favourite cargo for polymeric nanoparticles. C43H53NO14, 807.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cabazitaxel — C45H57NO14, 835.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cisplatin — Square-planar platinum drug that cross-links DNA; the classic metal-based chemotherapy. Cl2H6N2Pt, 300.05 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Carboplatin — Gentler platinum drug with a cyclobutane-dicarboxylate leaving group. C6H12N2O4Pt, 371.25 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Oxaliplatin — Third-generation platinum drug for colorectal cancer. C8H14N2O4Pt, 397.29 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
5-Fluorouracil — Pyrimidine analogue that blocks thymidylate synthase. C4H3FN2O2, 130.08 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Gemcitabine — Difluoro nucleoside analogue for pancreatic cancer; often conjugated to lipids or squalene. C9H11F2N3O4, 263.2 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Methotrexate — Folate antagonist; doubles as a folate-receptor targeting ligand on nanoparticles. C20H22N8O5, 454.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Pemetrexed — C20H21N5O6, 427.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cyclophosphamide — C7H15Cl2N2O2P, 261.08 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ifosfamide — C7H15Cl2N2O2P, 261.08 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Etoposide — C29H32O13, 588.6 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Irinotecan — Camptothecin prodrug; liposomal irinotecan (Onivyde) treats pancreatic cancer. C33H38N4O6, 586.7 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Topotecan — C23H23N3O5, 421.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Camptothecin — Natural topoisomerase-I poison from the Chinese happy tree. C20H16N2O4, 348.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
SN-38 — Active metabolite of irinotecan, ~1000× more potent; payload of the ADC sacituzumab govitecan. C22H20N2O5, 392.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vincristine — Vinca alkaloid; liposomal vincristine (Marqibo) treats leukaemia. C46H56N4O10, 825 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vinblastine — C46H58N4O9, 811 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vinorelbine — C45H54N4O8, 778.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Imatinib — The first targeted kinase inhibitor (BCR-ABL), which transformed chronic myeloid leukaemia. C29H31N7O, 493.6 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Dasatinib — C22H26ClN7O2S, 488 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Nilotinib — C28H22F3N7O, 529.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Gefitinib — C22H24ClFN4O3, 446.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Erlotinib — C22H23N3O4, 393.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Osimertinib — C28H33N7O2, 499.6 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Sorafenib — C21H16ClF3N4O3, 464.8 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Sunitinib — C22H27FN4O2, 398.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lapatinib — C29H26ClFN4O4S, 581.1 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lenvatinib — C21H19ClN4O4, 426.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Tamoxifen — Selective oestrogen-receptor modulator for breast cancer. C26H29NO, 371.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Letrozole — C17H11N5, 285.3 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Anastrozole — C17H19N5, 293.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Bortezomib — Boronic-acid proteasome inhibitor for multiple myeloma. C19H25BN4O4, 384.2 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Carfilzomib — C40H57N5O7, 719.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Capecitabine — C15H22FN3O6, 359.35 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cytarabine — C9H13N3O5, 243.22 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Azacitidine — C8H12N4O5, 244.2 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Temozolomide — C6H6N6O2, 194.15 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Mitoxantrone — C22H28N4O6, 444.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Olaparib — PARP inhibitor exploiting BRCA-deficient tumours. C24H23FN4O3, 434.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Venetoclax — BCL-2 inhibitor that restarts apoptosis in leukaemia cells. C45H50ClN7O7S, 868.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ibrutinib — C25H24N6O2, 440.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Palbociclib — C24H29N7O2, 447.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Everolimus — C53H83NO14, 958.2 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Sirolimus — C51H79NO13, 914.2 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Bleomycin — C55H84N17O21S3+, 1415.6 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Mitomycin — C15H18N4O5, 334.33 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Dacarbazine — C6H10N6O, 182.18 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Hydroxyurea — CH4N2O2, 76.06 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Tretinoin — C20H28O2, 300.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Arsenic trioxide — As2O3, 197.84 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Sotorasib — First approved KRAS G12C inhibitor; binds covalently to cysteine 12. C30H30F2N6O3, 560.6 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vemurafenib — C23H18ClF2N3O3S, 489.9 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Enzalutamide — C21H16F4N4O2S, 464.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Abiraterone — C24H31NO, 349.5 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
MMAE — Ultra-potent tubulin toxin — the payload of many antibody–drug conjugates (e.g. brentuximab vedotin). C39H67N5O7, 718 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Calicheamicin γ1 — C55H74IN3O21S4, 1368.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Exatecan — Topoisomerase-I payload (as deruxtecan) in trastuzumab deruxtecan (Enhertu). C24H22FN3O4, 435.4 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Mertansine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Deruxtecan — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Afatinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Alectinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Crizotinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ceritinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Brigatinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lorlatinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cabozantinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Regorafenib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Pazopanib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Axitinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vandetanib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ponatinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Bosutinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ruxolitinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Idelalisib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Alpelisib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Niraparib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Rucaparib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Talazoparib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Abemaciclib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ribociclib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Fulvestrant — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Exemestane — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Bicalutamide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Apalutamide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Darolutamide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Melphalan — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Chlorambucil — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Bendamustine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Busulfan — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Carmustine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lomustine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Thiotepa — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Trabectedin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Eribulin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ixabepilone — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Romidepsin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vorinostat — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Panobinostat — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Decitabine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Fludarabine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cladribine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Clofarabine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Pralatrexate — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Mercaptopurine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Thioguanine — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Dactinomycin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lurbinectedin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Selinexor — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ixazomib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Pomalidomide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Lenalidomide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Thalidomide — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Dabrafenib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Trametinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Encorafenib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Binimetinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Cobimetinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Adagrasib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Larotrectinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Entrectinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Capivasertib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Tazemetostat — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Ivosidenib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Enasidenib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Gilteritinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Midostaurin — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Acalabrutinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Zanubrutinib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Vismodegib — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Duocarmycin SA — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Combretastatin A4 — Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.
Genistein — C15H10O5, 270.24 g/mol. Real 3D structure from PubChem. “Show as” draws it as tablets, capsules, syrup, an injection and other dosage forms.