| Duocarmycin CPI coreAbstract pharmacophoreduocarmycin-cpi-corePage | Scaffold | CN1C(=O)C2=C(C=CC3=C2C1=CC=C3)O | — | — | duocarmycin · CPI · core · Shared pharmacophore / core scaffold. Anchor for the Duocarmycin CPI ADC payload series li… |
| Duocarmycin SAR indole analogExploratory analog (rule-generated)duocarmycin-sar-indolePage | Derivative | CN1C(=O)C2=C(C=CC3=C2C1CC3Cl)Oc4ccc5c(c4)[… | Duocarmycin SA | 19%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 Duocarmycin CPI ADC payload series. |
| Duocarmycin SAPayloadduocarmycin-saPage | Payload | CN1C(=O)C2=C(C=CC3=C2C1CC3Cl)Oc4ccc5c(c4)C… | Duocarmycin CPI core | 16%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 · DNA-alkylator · Payload warhead chemistry. Released warhead after lysosomal cleavage. |
| Seco-duocarmycinPayloadseco-duocarmycinPage | Payload | CN1C(=O)C2=C(C=CC3=C2C1C(O)C3)Oc4ccc5c(c4)… | Duocarmycin CPI core | 17%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 · prodrug · Payload warhead chemistry. Released warhead after lysosomal cleavage. |
| Duocarmycin Val-Cit linker nodeLinkerduocarmycin-vc-linkerPage | Linker | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)N)N)C(=O)… | Duocarmycin CPI core | 11%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 … |
| Duocarmycin-payload ADC exampleADCduocarmycin-payload-adcPage | ADC | CN1C(=O)C2=C(C=CC3=C2C1CC3Cl)Oc4ccc5c(c4)C… | Duocarmycin SA | 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. | ADC · preclinical · Antibody-drug conjugate construct; displayed structure is the payload warhead (Duocarmycin… |