Molecule Details
| InChIKey | CKZFVWOHYQPQSY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one |
| Canonical SMILES | COc1ccccc1N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.85 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 8.5 | Ki | ChEMBL |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 8.4 | Ki | ChEMBL |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 8.4 | Ki | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |