Molecule Details
| InChIKey | MDJCUXFFMNEBHG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 9-(4-Hydroxy-3-methoxyphenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one |
| Canonical SMILES | COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.2 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.4 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |