Molecule Details
| InChIKey | KPLAOBBKVKBAHH-ZPOSZEQMSA-N |
|---|---|
| Compound Name | 4-N-[5-[[(1S)-2-(dimethylamino)-1-phenylethyl]carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-N-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide |
| Canonical SMILES | Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4)cc2)C(C)(C)C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL |
2D Structure
Activity Profile