Molecule Details
| InChIKey | MDRYYKCWQBJPBJ-OBFLODNTSA-N |
|---|---|
| Compound Name | (5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzenesulfonylamino)-ethylcarbamoyl]-8-[(2H-imidazol-2-ylamino)-methyl]-1-oxa-2,7-diaza-spiro[4.4]non-2-ene-7-carboxylic acid benzyl ester |
| Canonical SMILES | Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@]3(C2)C[C@@H](CNC2N=CC=N2)N(C(=O)OCc2ccccc2)C3)C(=O)O)c(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.46 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.9 | IC50 | ChEMBL;BindingDB |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.2 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.2 | IC50 | ChEMBL |