Molecule Details
| InChIKey | GPHUVHHAWZLCIP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Methoxy-6-oxo-5,6,7,12-tetrahydro-indolo[3,2-d][1]-benzazepine-9-carbonitrile |
| Canonical SMILES | COc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc(C#N)cc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.3 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.0 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |