Molecule Details
| InChIKey | ICTXJDJNDUREMP-NRFUFCHMSA-N |
|---|---|
| Compound Name | (2S)-2-(2,6-dimethyl-4-phenylphenyl)sulfonyl-3-[[8-[(1H-imidazol-2-ylamino)methyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carbonyl]amino]propanoic acid |
| Canonical SMILES | Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(CCC(CNc3ncc[nH]3)CC2)C1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.0 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.0 | IC50 | ChEMBL |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 6.2 | IC50 | ChEMBL;BindingDB |