Molecule Details
| InChIKey | HPVDZWIMLRMLSJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | ethyl 2-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]acetate |
| Canonical SMILES | CCOC(=O)Cn1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 9.0 | IC50 | BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 8.6 | IC50 | BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 8.3 | IC50 | BindingDB |
| O00519 | FAAH | Homo sapiens | Human | PF01425 | 6.4 | IC50 | ChEMBL;BindingDB |