Molecule Details
| InChIKey | SMTXKVURUPJKNQ-OAQYLSRUSA-N |
|---|---|
| Compound Name | N-(2-Aminophenyl)-4-[[[(4S)-4,5-dihydro-4-phenyl-2-thiazolyl]amino]methyl]-benzamide |
| Canonical SMILES | Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](c3ccccc3)CS2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.9 | IC50 | ChEMBL |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 7.9 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.1 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.0 | IC50 | ChEMBL |