Molecule Details
| InChIKey | CYXKNKQEMFBLER-UHFFFAOYSA-N |
|---|---|
| Compound Name | Perhexiline |
| Canonical SMILES | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.16 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01074 |
|---|---|
| Drug Name | Perhexiline |
| CAS Number | 6621-47-2 |
| Groups | approved |
| ATC Codes | C08EX02 |
| Description | Perhexiline is a coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. |
Categories: Agents causing hyperkalemia Antiarrhythmic agents Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Cardiovascular Agents Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Membrane Transport Modulators Negative Inotrope Non-Selective Calcium Channel Blockers Piperidines Potential QTc-Prolonging Agents QTc Prolonging Agents Vasodilating Agents
Cross-references: BindingDB: 61402 ChEBI: 35553 CHEMBL75880 ChemSpider: 4584 PharmGKB: PA130150436 PubChem:4746 PubChem:46504471 RxCUI: 8050 Therapeutic Targets Database: DAP000957 Wikipedia: Perhexiline
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| Q12809 | KCNH2 | Voltage-gated inwardly rectifying potassium channel KCNH2 | binder | targets |
| P23786 | CPT2 | Carnitine O-palmitoyltransferase 2, mitochondrial | inhibitor | targets |
| P50416 | CPT1A | Carnitine O-palmitoyltransferase 1, liver isoform | inhibitor | targets |
| Q92523 | CPT1B | Carnitine O-palmitoyltransferase 1, muscle isoform | inhibitor | targets |