Molecule Details
| InChIKey | HYIMSNHJOBLJNT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nifedipine |
| Canonical SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01115 |
|---|---|
| Drug Name | Nifedipine |
| CAS Number | 21829-25-4 |
| Groups | approved investigational |
| ATC Codes | C08CA55 C08GA01 C08CA05 C07FB03 |
| Description | Nifedipine, or BAY a 1040, is a first generation dihydropyridine L-type calcium channel blocker, similar to [nicardipine].[A190210,A190273,A175390,L11383] Nifedipine was developed by Bayer and first described in the literature, along with other dihydropyridines, in 1972.[A175390,A190276] Since nifed... |
Categories: Agents causing hyperkalemia Antiarrhythmic agents Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Beta blocking agents and calcium channel blockers Bradycardia-Causing Agents Calcium Channel Blockers Calcium Channel Blockers (Dihydropyridine) Calcium Channel Blockers and Diuretics Calcium-Regulating Hormones and Agents Cardiovascular Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dihydropyridine Derivatives Dihydropyridines Drugs that are Mainly Renally Excreted Hypotensive Agents Membrane Transport Modulators Moderate Risk QTc-Prolonging Agents Negative Inotrope OATP1B1/SLCO1B1 Inhibitors P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Pyridines QTc Prolonging Agents Reproductive Control Agents Selective Calcium Channel Blockers With Mainly Vascular Effects Tocolytic Agents Vasodilating Agents
Cross-references: BindingDB: 50101817 ChEBI: 7565 CHEMBL193 ChemSpider: 4330 Drugs Product Database (DPD): 1966 Guide to Pharmacology: 2514 IUPHAR: 2514 C07266 D00437 PDB: C5U PharmGKB: PA450631 PubChem:4485 PubChem:46505103 RxCUI: 7417 Therapeutic Targets Database: DAP000529 Wikipedia: Nifedipine ZINC: ZINC000085205448
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60840 | CACNA1F | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.8 | IC50 | ChEMBL |
| Q01668 | CACNA1D | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.8 | IC50 | ChEMBL |
| Q13698 | CACNA1S | Homo sapiens | Human | PF08763 PF16905 PF00520 | 7.8 | IC50 | ChEMBL |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.7 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P41597 | CCR2 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (30)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | agonist | targets |
| O43497 | CACNA1G | Voltage-dependent T-type calcium channel | inhibitor | targets |
| P0DP23 | CALM1 | Calmodulin | 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 |
| 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 |
| Q9UK17 | KCND3 | A-type voltage-gated potassium channel KCND3 | inhibitor | targets |
| O15438 | ABCC3 | ATP-binding cassette sub-family C member 3 | inducer | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | inducer | transporters |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |