Molecule Details
| InChIKey | MCNILTQMLDZWKD-FREGXXQWSA-N |
|---|---|
| Compound Name | 4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-dioxo-7-quinolin-6-ylmethyl-1,3,7-triaza-spiro[4.4]non-9-yl]-benzonitrile |
| Canonical SMILES | CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1ccc3ncccc3c1)C[C@H]2c1ccc(C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.22 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 8.2 | IC50 | ChEMBL |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 8.2 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 8.2 | IC50 | ChEMBL;BindingDB |