| Auristatin E (parent)Abstract scaffoldauristatin-ePage | Scaffold | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | Dolastatin 10 / auristatin core | 42%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. | auristatin · precursor · Core scaffold for the MMAE (auristatin) payload family chemical series. |
| Dolastatin 10 / auristatin coreAbstract scaffolddolastatin-10-corePage | Scaffold | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O | — | — | auristatin · microtubule · core · Parent peptide backbone for auristatin payloads. |
| MMAE C-terminal SAR analogExploratory analog (rule-generated)mmae-sar-1Page | Derivative | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE (monomethyl auristatin E) | 39%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 MMAE (auristatin) payload family. |
| MMAE-PEG4 analogExploratory analog (rule-generated)mmae-peg4Page | Derivative | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE (monomethyl auristatin E) | 34%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. | PEG · derivative · PEGylated variant for solubility / DAR tuning. |
| MMAE (monomethyl auristatin E)PayloadmmaePage | Payload | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | Dolastatin 10 / auristatin core | 44%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 · ADC · payload · Val-Cit–released auristatin payload in Adcetris and related ADCs. · CHEMBL2103838 · CID 5282372 |
| MMAF (monomethyl auristatin F)PayloadmmafPage | Payload | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | Dolastatin 10 / auristatin core | 37%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 · payload · C-terminal Phe auristatin — polar, cell-impermeable payload variant. |
| Val-CitLinkerval-citPage | Linker | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)O)NC(=O)O… | Dolastatin 10 / auristatin core | 10%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 … |
| Brentuximab vedotin (Adcetris)ADCbrentuximab-vedotin-payloadPage | ADC | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE (monomethyl auristatin E) | 44%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 · CD30 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Brentuximab… |
| Enfortumab vedotin (Padcev)ADCenfortumab-vedotinPage | ADC | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAF (monomethyl auristatin F) | 37%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 · Nectin-4 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Enfortumab … |
| Glembatumumab vedotinADCglembatumumab-vedotinPage | ADC | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE (monomethyl auristatin E) | 44%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 · gpNMB · Antibody-drug conjugate construct; displayed structure is the payload warhead (Glembatumum… |
| Polatuzumab vedotin (Polivy)ADCpolatuzumab-vedotinPage | ADC | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE (monomethyl auristatin E) | 44%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 · CD79b · Antibody-drug conjugate construct; displayed structure is the payload warhead (Polatuzumab… |
| Tivozanib vedotin (example)ADCtivozanib-vedotinPage | ADC | CC(C)C1=NC(=CS1)C2=CC(=C(C=C2)O)O[C@H]3[C@… | MMAE-PEG4 analog | 34%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 · Antibody-drug conjugate construct; displayed structure is the payload warhead (Tivozanib v… |