Molecule Details
| InChIKey | IGUVQCZYMKVWFL-SFHVURJKSA-N |
|---|---|
| Compound Name | SF-0166 free acid |
| Canonical SMILES | O=C(O)C[C@@H](c1ccc(OC(F)F)nc1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19337 |
|---|---|
| Drug Name | Nesvategrast |
| CAS Number | 1621332-91-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Nesvategrast is under investigation in clinical trial NCT05409235 (Nesvategrast (OTT166) in Diabetic Retinopathy (DR)). |
Cross-references: BindingDB: 606864 CHEMBL5315046
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18564 | ITGB6 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.1 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.0 | IC50 | ChEMBL |
| P26012 | ITGB8 | Homo sapiens | Human | PF23105 PF23106 PF00362 PF17205 | 7.9 | IC50 | ChEMBL;BindingDB |