Molecule Details
| InChIKey | RTMFXQXENIODOP-PIBDYAPNSA-N |
|---|---|
| Compound Name | (2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide |
| Canonical SMILES | CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 8.4 | IC50 | ChEMBL;BindingDB |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 8.4 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 8.4 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 8.4 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 8.4 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 8.4 | IC50 | ChEMBL |
| Q06330 | RBPJ | Homo sapiens | Human | PF09270 PF09271 PF20144 | 7.3 | IC50 | ChEMBL;BindingDB |
| P46531 | NOTCH1 | Homo sapiens | Human | PF00023 PF12796 PF00008 PF07645 PF12661 PF06816 PF07684 PF00066 | 7.2 | IC50 | ChEMBL;BindingDB |