efonidipine   Click here for help

GtoPdb Ligand ID: 12565

Synonyms: Landel® | NZ-105 (efonidipine HCl)
Approved drug
efonidipine is an approved drug (Japan (1995))
Compound class: Synthetic organic
Comment: This version of efonidipine's chemical structure without stereo bond details is used to represent the racemic mixture that is defined by the INN. Efonidipine is a dihydropyridine class calcium channel blocker that inhibits L-type and T-type calcium channels [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 130.05
Molecular weight 631.66
XLogP 4.73
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(C(C2=CC=CC(=C2)[N+](=O)[O-])C(=C(C)N1)P3(=O)OCC(C)(C)CO3)C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
InChI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
InChI Key NSVFSAJIGAJDMR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (1995))
IUPAC Name Click here for help
2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
International Nonproprietary Names Click here for help
INN number INN
6852 efonidipine
Synonyms Click here for help
Landel® | NZ-105 (efonidipine HCl)
Database Links Click here for help
CAS Registry No. 111011-63-3 (source: WHO INN record)
ChEBI CHEBI:146221
ChEMBL Ligand CHEMBL2074922
DrugBank Ligand DB09235
GtoPdb PubChem SID 479821355
PubChem CID 119171
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UniChem Compound Search for chemical match using the InChIKey NSVFSAJIGAJDMR-UHFFFAOYSA-N
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