Molecule Details
| InChIKey | IKUISOBQXBKHEE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one |
| Canonical SMILES | COc1ccc(N2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.8 |
| 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 | 8.9 | Ki | ChEMBL |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 8.6 | Ki | ChEMBL |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 7.7 | Ki | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |