LERCANIDIPINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII OA8TFX68PE
EPA CompTox DTXSID3046665

Structure

InChI Key WMFYOYKPJLRMJI-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl
InChI
InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H42ClN3O6
Molecular Weight 648.2
AlogP 6.48
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 111.01
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 45.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER Other PubMed

Target Conservation

Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067

Cross References

Resources Reference
ChEBI 31771
ChEMBL CHEMBL2106419
FDA SRS OA8TFX68PE
PubChem 157917
SureChEMBL SCHEMBL217099
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