Molecule Details
| InChIKey | ABGBBQLBNIVODC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-dioxopentan-3-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide |
| Canonical SMILES | CCC(NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1ccn(C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.0 | IC50 | ChEMBL;BindingDB |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 7.8 | IC50 | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.7 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.8 | IC50 | ChEMBL;BindingDB |