Molecule Details
| InChIKey | VXDKQRWTOJFQKH-BJZITVGISA-N |
|---|---|
| Compound Name | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide |
| Canonical SMILES | O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06837 |
|---|---|
| Drug Name | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50104965 CHEMBL8943 ChemSpider: 9318285 PDB: 099 PubChem:11143173 PubChem:99443308 ZINC: ZINC000013436282
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75173 | ADAMTS4 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF00090 | 7.2 | IC50 | ChEMBL |
| Q9UNA0 | ADAMTS5 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF19030 PF00090 | 7.0 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9UNA0 | ADAMTS5 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | binder | targets |