Molecule Details
| InChIKey | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
|---|---|
| Compound Name | P-Coumaric Acid |
| Canonical SMILES | O=C(O)/C=C/c1ccc(O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.27 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04066 |
|---|---|
| Drug Name | p-Coumaric acid |
| CAS Number | 501-98-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Adrenal Cortex Hormones Anti-Infective Agents Antioxidants Biological Factors Cinnamates Compounds used in a research, industrial, or household setting Free Radical Scavengers Protective Agents Reproductive Control Agents
Cross-references: BindingDB: 4374 ChEBI: 32374 CHEMBL66879 ChemSpider: 553148 C00811 PDB: HC4 PubChem:637542 PubChem:46508796 RxCUI: 1485787 Wikipedia: P-Coumaric_acid ZINC: ZINC000000039811
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15121 | AKR1B1 | Homo sapiens | Human | PF00248 | 6.8 | IC50 | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | pIC50 | TTD_MultiTarget |
| A0A045J7I4 | yrdA | Mycobacterium tuberculosis | Pathogen | — | 6.2 | Ki | BindingDB |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P16113 | P16113 | Photoactive yellow protein | binder | targets |
| Q14914 | Q14914 | Prostaglandin reductase 1 | binder | targets |
| Q3IWB0 | Q3IWB0 | Tyrosine ammonia-lyase | binder | targets |
| Q9X2W8 | Q9X2W8 | Photoactive yellow protein | binder | targets |
| O43570 | CA12 | Carbonic anhydrase 12 | inhibitor | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |