Molecule Details
| InChIKey | KSEBMYQBYZTDHS-HWKANZROSA-N |
|---|---|
| Compound Name | Ferulic Acid |
| Canonical SMILES | COc1cc(/C=C/C(=O)O)ccc1O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.25 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07767 |
|---|---|
| Drug Name | Ferulic acid |
| CAS Number | 1135-24-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anticoagulants Antihypertensive Agents Antioxidants Antirheumatic Agents Cardiovascular Agents Cholagogues and Choleretics Cinnamates Compounds used in a research, industrial, or household setting Free Radical Scavengers Gastrointestinal Agents Hematologic Agents Indicators and Reagents Laboratory Chemicals Peripheral Nervous System Agents Plants Sensory System Agents
Cross-references: BindingDB: 50214744 ChEBI: 17620 CHEMBL32749 ChemSpider: 393368 C01494 PDB: FER PubChem:445858 PubChem:99444238 RxCUI: 1368647 Wikipedia: Ferulic_acid ZINC: ZINC000000058258
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 6.2 | IC50 | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| Q8NEV1 | CSNK2A3 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P37840 | SNCA | Homo sapiens | Human | PF01387 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| A0A045J7I4 | yrdA | Mycobacterium tuberculosis | Pathogen | — | 6.4 | Ki | BindingDB |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| D2YW37 | D2YW37 | Est1e | binder | targets |
| P10478 | P10478 | Endo-1,4-beta-xylanase Z | binder | targets |
| P51584 | P51584 | Endo-1,4-beta-xylanase Y | binder | targets |
| Q55813 | Q55813 | O-methyltransferase | 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 |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |
| O15427 | SLC16A3 | Monocarboxylate transporter 4 | substrate | transporters |
| P53985 | SLC16A1 | Monocarboxylate transporter 1 | substrate | transporters |