Molecule Details
| InChIKey | FOWUOSHNILCZNQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]phenyl]-1H-benzimidazole-4-carboxamide |
| Canonical SMILES | NC(=O)c1cccc2[nH]c(-c3ccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc3)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.04 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 10.7 | IC50 | ChEMBL |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.0 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL |