Molecule Details
| InChIKey | JUOKIFQCAPGRNU-PFCIVCCVSA-N |
|---|---|
| Compound Name | 3-[[(2S)-3-[(3S)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q96CA5 | BIRC7 | Homo sapiens | Human | PF00653 PF13920 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 6.4 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 6.3 | IC50 | ChEMBL;BindingDB |