Molecule Details
| InChIKey | LWSIXIMCXWLGDB-UVHVAMGRSA-N |
|---|---|
| Compound Name | 4-N-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethyl]-1-N-[2-[2-[[4-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]benzene-1,4-dicarboxamide |
| Canonical SMILES | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile