Molecule Details
| InChIKey | XBYJCVDSFWJBSM-OAHLLOKOSA-N |
|---|---|
| Compound Name | N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide |
| Canonical SMILES | CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07048 |
|---|---|
| Drug Name | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: ChemSpider: 25058031 PDB: 3CC PubChem:23653514 PubChem:99443519 ZINC: ZINC000013686386
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 9.1 | Ki | BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.0 | Ki | BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.5 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.2 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00918 | CA2 | Carbonic anhydrase 2 | binder | targets |