Molecule Details
| InChIKey | QGMUDAKKGSLGLA-UXHICEINSA-N |
|---|---|
| Compound Name | (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide |
| Canonical SMILES | C[C@@H]1CN(Cc2ccccc2)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.18 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9P0X4 | CACNA1I | Homo sapiens | Human | PF00520 | 7.6 | IC50 | ChEMBL;BindingDB |
| O43497 | CACNA1G | Homo sapiens | Human | PF00520 | 6.8 | IC50 | ChEMBL;BindingDB |
| O95180 | CACNA1H | Homo sapiens | Human | PF00520 | 6.6 | IC50 | ChEMBL;BindingDB |