Molecule Details
InChIKeyHYIMSNHJOBLJNT-UHFFFAOYSA-N
Compound NameNifedipine
Canonical SMILESCOC(=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 pChEMBL7.29
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01115
Drug NameNifedipine
CAS Number21829-25-4
Groups approved investigational
ATC Codes C08CA55 C08GA01 C08CA05 C07FB03
DescriptionNifedipine, 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