Molecule Details
| InChIKey | PVHUJELLJLJGLN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nitrendipine |
| Canonical SMILES | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01054 |
|---|---|
| Drug Name | Nitrendipine |
| CAS Number | 39562-70-4 |
| Groups | approved investigational withdrawn |
| ATC Codes | C08CA08 C09BB06 |
| Description | Nitrendipine is a calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. |
Categories: ACE Inhibitors and Calcium Channel Blockers Agents causing hyperkalemia Antiarrhythmic agents Antihypertensive Agents BSEP/ABCB11 Substrates 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 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Dihydropyridine Derivatives Dihydropyridines Hypotensive Agents Membrane Transport Modulators P-glycoprotein inhibitors Potential QTc-Prolonging Agents Pyridines QTc Prolonging Agents Selective Calcium Channel Blockers With Mainly Vascular Effects Vasodilating Agents
Cross-references: BindingDB: 50237611 ChEBI: 7582 CHEMBL475534 ChemSpider: 4351 Guide to Pharmacology: 2334 IUPHAR: 2334 C07713 D00629 PharmGKB: PA146096020 PubChem:4507 PubChem:46508817 RxCUI: 7441 Therapeutic Targets Database: DAP001263 Wikipedia: Nitrendipine
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 9.5 | IC50 | ChEMBL;BindingDB |
| O60840 | CACNA1F | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 9.2 | IC50 | ChEMBL |
| Q01668 | CACNA1D | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 9.2 | IC50 | ChEMBL |
| Q13698 | CACNA1S | Homo sapiens | Human | PF08763 PF16905 PF00520 | 9.2 | IC50 | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| O95180 | CACNA1H | Voltage-dependent T-type calcium channel subunit alpha-1H | inhibitor | targets |
| P54289 | CACNA2D1 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | inhibitor | targets |
| Q01668 | CACNA1D | Voltage-dependent L-type calcium channel subunit alpha-1D | inhibitor | targets |
| Q08289 | CACNB2 | Voltage-dependent L-type calcium channel subunit beta-2 | inhibitor | targets |
| Q12791 | KCNMA1 | Calcium-activated potassium channel | 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 |
| Q9NY47 | CACNA2D2 | Voltage-dependent calcium channel subunit alpha-2/delta-2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |