Molecule Details
| InChIKey | LNQHMSWBIGYWSY-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide |
| Canonical SMILES | CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.1 | IC50 | ChEMBL;BindingDB |
| P49116 | NR2C2 | Homo sapiens | Human | PF00104 PF00105 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.6 | IC50 | ChEMBL;BindingDB |