| Camptothecin (parent alkaloid)Abstract pharmacophorecamptothecinPage | Scaffold | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N | — | — | TOP1 · core · Shared pharmacophore / core scaffold. Anchor for the SN-38 / irinotecan (TOP1) small-molec… |
| Irinotecan (CPT-11)Verified drugirinotecanPage | Drug | CCC1=C2CN3C(=O)C4=C(C3=O)C(=CC=C4)N(C2=NC5… | Camptothecin (parent alkaloid) | 12%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · prodrug · Approved therapeutic. Irinotecan (CPT-11) in this family map. · CHEMBL481 · CID 60838 |
| Rubitecan (oral TOP1)Exploratory analogrubitecanPage | Drug | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)[… | Camptothecin (parent alkaloid) | 67%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | TOP1 · Clinical or approved drug node — Rubitecan (oral TOP1). |
| SN-38 (active metabolite)Exploratory analogsn38Page | Drug | CCC1=C2[C@@H](C[C@@H](O2)N(C1=O)[C@@H]3C[C… | Irinotecan (CPT-11) | 80%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | active · TOP1 · Clinical or approved drug node — SN-38 (active metabolite). |
| Topotecan (Hycamtin)Verified drugtopotecanPage | Drug | CC1=CC2=C(C=C1)N(C3=NC(C(=O)O)=NC4=CC=CC=C… | Camptothecin (parent alkaloid) | 13%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · TOP1 · Approved therapeutic. Topotecan (Hycamtin) in this family map. |
| SN-38 lipophile analogExploratory analog (rule-generated)sn38-lipophile-analogPage | Derivative | CCC1=C2[C@@H](C[C@@H](O2)N(C1=O)[C@@H]3C[C… | SN-38 (active metabolite) | 15%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | SAR · SAR exploration node. Derived analog of parent node in SN-38 / irinotecan (TOP1) small-mol… |
| SN-38 ADC linker-payload designPayloadsn38-adc-designPage | Payload | CCC1=C2[C@@H](C[C@@H](O2)N(C1=O)[C@@H]3C[C… | SN-38 (active metabolite) | 14%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | payload · ADC · ADC platform member. Released warhead after lysosomal cleavage. |