Molecule Details
| InChIKey | XQLWNAFCTODIRK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gallopamil |
| Canonical SMILES | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12923 |
|---|---|
| Drug Name | Gallopamil |
| CAS Number | 16662-47-8 |
| Groups | investigational |
| ATC Codes | C08DA02 |
| Description | Gallopamil has been used in trials studying the treatment of Asthma. |
Categories: Agents causing hyperkalemia Amines Antiarrhythmic agents Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Cardiovascular Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Ethylamines Membrane Transport Modulators P-glycoprotein inhibitors Phenethylamines Phenylalkylamine Derivatives Potential QTc-Prolonging Agents QTc Prolonging Agents Selective Calcium Channel Blockers With Direct Cardiac Effects Vasodilating Agents Verapamil and analogues
Cross-references: BindingDB: 82061 ChEBI: 34772 CHEMBL51149 ChemSpider: 1197 C13764 PubChem:1234 PubChem:347829068 RxCUI: 4648 Wikipedia: Gallopamil
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60840 | CACNA1F | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 8.1 | IC50 | ChEMBL |
| Q01668 | CACNA1D | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 8.1 | IC50 | ChEMBL |
| Q13698 | CACNA1S | Homo sapiens | Human | PF08763 PF16905 PF00520 | 8.1 | IC50 | ChEMBL |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.9 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P08473 | MME | Neprilysin | inhibitor | targets |
| P12821 | ACE | Angiotensin-converting enzyme | inhibitor | targets |
| P16615 | ATP2A2 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |