Molecule Details
| InChIKey | JUEONDBIBADVGD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(4-Sulfamoylphenyl)propanoic acid |
| Canonical SMILES | NS(=O)(=O)c1ccc(CCC(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08156 |
|---|---|
| Drug Name | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 29277 CHEMBL451332 ChemSpider: 2413463 PDB: M28 PubChem:3161908 PubChem:99444627 ZINC: ZINC000004362893
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | pIC50 | TTD_MultiTarget |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| Q6FTL6 | NCE103 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00484 | 7.3 | Ki | ChEMBL |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 6.4 | Ki | ChEMBL;BindingDB |