Molecule Details
| InChIKey | UIAGMCDKSXEBJQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nimodipine |
| Canonical SMILES | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00393 |
|---|---|
| Drug Name | Nimodipine |
| CAS Number | 66085-59-4 |
| Groups | approved investigational |
| ATC Codes | C08CA06 |
| Description | Nimodipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nimodipine prevents calcium-dependent smooth... |
Categories: Agents causing hyperkalemia Antiarrhythmic agents Antihypertensive Agents Bradycardia-Causing Agents Calcium Channel Blockers Calcium Channel Blockers (Dihydropyridine) Calcium-Regulating Hormones and Agents Cardiovascular Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dihydropyridine Derivatives Dihydropyridines Hypotensive Agents Membrane Transport Modulators Moderate Risk QTc-Prolonging Agents Nicotinic Acids P-glycoprotein inhibitors Pyridines QTc Prolonging Agents Selective Calcium Channel Blockers With Mainly Vascular Effects Vasodilating Agents
Cross-references: BindingDB: 50101971 ChEBI: 7575 CHEMBL1428 ChemSpider: 4341 Drugs Product Database (DPD): 1910 Guide to Pharmacology: 2523 IUPHAR: 2523 C07267 D00438 PharmGKB: PA450633 PubChem:4497 PubChem:46508497 RxCUI: 7426 Therapeutic Targets Database: DAP000306 Wikipedia: Nimodipine
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P54289 | CACNA2D1 | Homo sapiens | Human | PF08473 PF00092 PF08399 | 7.5 | IC50 | ChEMBL |
| Q08289 | CACNB2 | Homo sapiens | Human | PF00625 PF12052 | 7.5 | IC50 | ChEMBL |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.0 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P35869 | AHR | Aryl hydrocarbon receptor | agonist | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | antagonist | targets |
| O00305 | CACNB4 | Voltage-dependent L-type calcium channel subunit beta-4 | inhibitor | targets |
| O60840 | CACNA1F | Voltage-dependent L-type calcium channel subunit alpha-1F | inhibitor | targets |
| P54284 | CACNB3 | Voltage-dependent L-type calcium channel subunit beta-3 | inhibitor | targets |
| Q01668 | CACNA1D | Voltage-dependent L-type calcium channel subunit alpha-1D | inhibitor | targets |
| Q02641 | CACNB1 | Voltage-dependent L-type calcium channel subunit beta-1 | inhibitor | targets |
| Q08289 | CACNB2 | Voltage-dependent L-type calcium channel subunit beta-2 | inhibitor | targets |
| Q13698 | CACNA1S | Voltage-dependent L-type calcium channel subunit alpha-1S | inhibitor | targets |
| Q13936 | CACNA1C | Voltage-dependent L-type calcium channel subunit alpha-1C | inhibitor | targets |