Molecule Details
| InChIKey | CEJGRXNVIYUAOO-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2-aminophenyl)-4-[(3,5-dimethylphenyl)sulfanylmethyl]benzamide |
| Canonical SMILES | Cc1cc(C)cc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.85 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 6.4 | IC50 | ChEMBL;BindingDB |