Molecule Details
| InChIKey | XQYZDYMELSJDRZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Papaverine |
| Canonical SMILES | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01113 |
|---|---|
| Drug Name | Papaverine |
| CAS Number | 58-74-2 |
| Groups | approved investigational |
| ATC Codes | G04BE02 A03AD01 G04BE52 |
| Description | An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacologica... |
Categories: Alimentary Tract and Metabolism Alkaloids Benzylisoquinolines Cardiovascular Agents Drugs Used in Erectile Dysfunction Drugs for Functional Gastrointestinal Disorders Enzyme Inhibitors Genito Urinary System and Sex Hormones Genitourinary Agents Heterocyclic Compounds, Fused-Ring Hypotensive Agents Isoquinolines Miscellaneous Vasodilatating Agents Moderate Risk QTc-Prolonging Agents Opiate Alkaloids Papaverine and Derivatives Phosphodiesterase Inhibitors QTc Prolonging Agents Urological Agents Urologicals Vasodilating Agents
Cross-references: BindingDB: 14754 ChEBI: 28241 CHEMBL19224 ChemSpider: 4518 Drugs Product Database (DPD): 6941 C06533 D07425 PDB: EV1 PharmGKB: PA164745550 PubChem:4680 PubChem:46508003 RxCUI: 7895 Therapeutic Targets Database: DAP000959 Wikipedia: Papaverine ZINC: ZINC000000056555
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q14432 | PDE3A | Homo sapiens | Human | PF00233 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q13370 | PDE3B | Homo sapiens | Human | PF00233 | 6.4 | Ki | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O76074 | PDE5A | cGMP-specific 3',5'-cyclic phosphodiesterase | inhibitor | targets |
| Q07343 | PDE4B | 3',5'-cyclic-AMP phosphodiesterase 4B | inhibitor | targets |
| Q08499 | PDE4D | 3',5'-cyclic-AMP phosphodiesterase 4D | inhibitor | targets |
| Q9Y233 | PDE10A | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | inhibitor | targets |