Molecule Details
| InChIKey | SEEYXMAOXPVGKQ-QHCPKHFHSA-N |
|---|---|
| Compound Name | (S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(1H-indole-3-carboxamido)propanoic acid |
| Canonical SMILES | O=C(N[C@@H](CNC(=O)c1c[nH]c2ccccc12)C(=O)O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.09 |
| 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 | 6.1 | IC50 | ChEMBL |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 6.1 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 6.1 | IC50 | ChEMBL;BindingDB |