Molecule Details
| InChIKey | BCDVKMOAMMODMM-UHFFFAOYSA-N |
|---|---|
| Compound Name | (7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid |
| Canonical SMILES | O=C(O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 9.7 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 9.6 | IC50 | ChEMBL |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 9.5 | IC50 | ChEMBL;BindingDB |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.0 | IC50 | ChEMBL;BindingDB |