Molecule Details
| InChIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Aspirin |
| Canonical SMILES | CC(=O)Oc1ccccc1C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00945 |
|---|---|
| Drug Name | Acetylsalicylic acid |
| CAS Number | 50-78-2 |
| Groups | approved investigational vet_approved |
| ATC Codes | B01AC06 C07FX04 C10BX04 M01BA03 C10BX02 N02BA71 B01AC56 N02AJ07 N02AJ02 N02BA01 B01AF51 C10BX05 N02BA51 A01AD05 C10BX01 C07FX03 N02AJ18 C10BX12 C10BX08 C10BX06 C07FX02 |
| Description | Also known as _Aspirin_, acetylsalicylic acid (ASA) is a commonly used drug for the treatment of pain and fever due to various causes. Acetylsalicylic acid has both anti-inflammatory and antipyretic effects. This drug also inhibits platelet aggregation and is used in the prevention of blood clots st... |
Categories: Acids, Carbocyclic Agents causing angioedema Agents causing hyperkalemia Agents that produce hypertension Alimentary Tract and Metabolism Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory and Antirheumatic Products Antiplatelet agents Antipyretics Benzene Derivatives Blood and Blood Forming Organs Cardiovascular Agents Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Decreased Platelet Aggregation Decreased Prostaglandin Production Drugs that are Mainly Renally Excreted Hematologic Agents Hydroxybenzoates Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors P-glycoprotein inducers P-glycoprotein substrates Peripheral Nervous System Agents Platelet Aggregation Inhibitors Excl. Heparin Salicylates Salicylic Acid and Derivatives Sensory System Agents Stomatological Preparations UGT1A6 substrate
Cross-references: BindingDB: 22360 ChEBI: 15365 CHEMBL25 ChemSpider: 2157 Drugs Product Database (DPD): 150 Guide to Pharmacology: 4139 IUPHAR: 4139 C01405 D00109 PDB: AIN PharmGKB: PA448497 PubChem:2244 PubChem:46505803 RxCUI: 1191 Therapeutic Targets Database: DAP000843 Wikipedia: Aspirin ZINC: ZINC000000000053
Target Activities (2)
DrugBank Target Actions (30)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| P11245 | P11245 | Arylamine N-acetyltransferase 2 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P19224 | UGT1A6 | UDP-glucuronosyltransferase 1A6 | substrate | enzymes |
| Q13131 | PRKAA1 | 5'-AMP-activated protein kinase | activator | targets |
| P11021 | HSPA5 | Endoplasmic reticulum chaperone BiP | binder | targets |
| P01106 | MYC | Myc proto-oncogene protein | downregulator | targets |
| P12004 | PCNA | DNA sliding clamp PCNA | downregulator | targets |
| P24385 | CCND1 | G1/S-specific cyclin-D1 | downregulator | targets |
| P29466 | CASP1 | Caspase-1 | downregulator | targets |
| P42574 | CASP3 | Caspase-3 | downregulator | targets |
| P98066 | P98066 | Tumor necrosis factor-inducible gene 6 protein | downregulator | targets |
| P04637 | TP53 | Cellular tumor antigen p53 | inducer | targets |
| P04035 | HMGCR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | inhibitor | targets |
| P11021 | HSPA5 | Endoplasmic reticulum chaperone BiP | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P25101 | EDNRA | Endothelin-1 receptor | inhibitor | targets |
| P25963 | NFKBIA | NF-kappa-B inhibitor alpha | inhibitor | targets |
| P29466 | CASP1 | Caspase-1 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| P42574 | CASP3 | Caspase-3 | inhibitor | targets |
| P51812 | RPS6KA3 | Ribosomal protein S6 kinase alpha-3 | inhibitor | targets |
| P98066 | P98066 | Tumor necrosis factor-inducible gene 6 protein | inhibitor | targets |
| Q04828 | AKR1C1 | Aldo-keto reductase family 1 member C1 | inhibitor | targets |
| Q99519 | Q99519 | Sialidase-1 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | modulator | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |