| Camptothecin / exatecan coreAbstract pharmacophorecamptothecin-corePage | Scaffold | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N | — | — | TOP1 · camptothecin · core · Lactone-bearing TOP1 inhibitor pharmacophore. |
| ExatecanExploratory analogexatecanPage | Drug | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | Camptothecin / exatecan core | 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 · payload precursor · Clinical or approved drug node — Exatecan. |
| SN-38 (irinotecan active)Exploratory analogsn38-cross-refPage | Drug | CCC1=C2[C@@H](C[C@@H](O2)N(C1=O)[C@@H]3C[C… | Camptothecin / exatecan core | 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. | TOP1 · small molecule · Cross-series reference to irinotecan lineage. |
| DXd hydroxy analogExploratory analog (rule-generated)dxd-hydroxy-analogPage | Derivative | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd (deruxtecan payload) | 62%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. | derivative · metabolite · Active or major metabolite. Derived analog of parent node in Exatecan / DXd (TOP1 inhibito… |
| DXd membrane-permeability SAR analogExploratory analog (rule-generated)dxd-sar-1Page | Derivative | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd (deruxtecan payload) | 61%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 · bystander · SAR exploration node. Derived analog of parent node in Exatecan / DXd (TOP1 inhibitor) pay… |
| DXd (deruxtecan payload)PayloaddxdPage | Payload | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | Camptothecin / exatecan core | 51%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. | ADC · approved · payload · Enhertu · Exatecan-derived TOP1 payload with bystander effect (Enhertu platform). · CHEMBL4297212 · CID 118722014 |
| CL2A (lysine-cleavable linker)Linkercl2a-linkerPage | Linker | NC(CCCNC(=O)CNC(=O)CCCCC)C(=O)O | Camptothecin / exatecan core | 6%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. | linker · Linker for antibody conjugation. Connects antibody to payload; cleavage chemistry defines … |
| GGFG (cleavable linker)LinkerggfgPage | Linker | NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N | Camptothecin / exatecan core | 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. | linker · cleavable · Linker for antibody conjugation. Connects antibody to payload; cleavage chemistry defines … |
| Dato-DXd (TROP2, alt node)ADCdatopotamab-deruxtecan-altPage | ADC | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd membrane-permeability SAR analog | 56%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. | ADC · TROP2 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Dato-DXd (T… |
| Datopotamab deruxtecan (Datroway)ADCdatopotamab-deruxtecanPage | ADC | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd (deruxtecan payload) | 57%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. | ADC · approved · TROP2 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Datopotamab… |
| Patritumab deruxtecan (HER3-DXd)ADCpatritumab-deruxtecanPage | ADC | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd (deruxtecan payload) | 56%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. | ADC · clinical · HER3 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Patritumab … |
| Trastuzumab deruxtecan (Enhertu)ADCtrastuzumab-deruxtecanPage | ADC | CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)N… | DXd (deruxtecan payload) | 51%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. | ADC · approved · HER2 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Trastuzumab… |