Molecule Details
| InChIKey | CXHCNOMGODVIKB-VWLOTQADSA-N |
|---|---|
| Compound Name | Glpg-0187 |
| Canonical SMILES | COc1ccc(S(=O)(=O)N[C@@H](CNc2nc(C)nc(N3CCC(c4ccc5c(n4)NCCC5)CC3)c2C)C(=O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12297 |
|---|---|
| Drug Name | GLPG-0187 |
| CAS Number | 1320346-97-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | GLPG0187 has been used in trials studying the treatment of Solid Tumors. |
Categories: Amides Heterocyclic Compounds, Fused-Ring Sulfones Sulfur Compounds
Cross-references: CHEMBL3319236 ChemSpider: 52085532 PubChem:53340771 PubChem:347828563 ZINC: ZINC000113459996
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P26012 | ITGB8 | Homo sapiens | Human | PF23105 PF23106 PF00362 PF17205 | 8.9 | IC50 | ChEMBL;BindingDB |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.9 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.8 | IC50 | ChEMBL |
| P18564 | ITGB6 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.8 | IC50 | ChEMBL;BindingDB |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.7 | IC50 | ChEMBL;BindingDB |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.4 | IC50 | ChEMBL;BindingDB |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 8.1 | IC50 | ChEMBL;BindingDB |