BEPRIDIL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4W2P15D93M
EPA CompTox DTXSID5040176

Structure

InChI Key UEECHQPWQHYEDE-UHFFFAOYSA-N
Smiles CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl.O
InChI
InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H37ClN2O2
Molecular Weight 421.03
AlogP 4.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 15.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated calcium channel blocker BLOCKER ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 124.13-131.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 124.13-131.3

Target Conservation

Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit beta-4
Organism : Homo sapiens
O00305 ENSG00000182389
Protein: Voltage-gated calcium channel
Description: Voltage-dependent P/Q-type calcium channel subunit alpha-1A
Organism : Homo sapiens
O00555 ENSG00000141837
Protein: Voltage-gated calcium channel
Description: Voltage-dependent T-type calcium channel subunit alpha-1G
Organism : Homo sapiens
O43497 ENSG00000006283
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-3 subunit
Organism : Homo sapiens
O60359 ENSG00000006116
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated calcium channel
Description: Voltage-dependent T-type calcium channel subunit alpha-1H
Organism : Homo sapiens
O95180 ENSG00000196557
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-7 subunit
Organism : Homo sapiens
P62955 ENSG00000105605
Protein: Voltage-gated calcium channel
Description: Voltage-dependent N-type calcium channel subunit alpha-1B
Organism : Homo sapiens
Q00975 ENSG00000148408
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit beta-1
Organism : Homo sapiens
Q02641 ENSG00000067191
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit beta-2
Organism : Homo sapiens
Q08289 ENSG00000165995
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067
Protein: Voltage-gated calcium channel
Description: Voltage-dependent R-type calcium channel subunit alpha-1E
Organism : Homo sapiens
Q15878 ENSG00000198216
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel subunit alpha-2/delta-4
Organism : Homo sapiens
Q7Z3S7 ENSG00000151062
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel subunit alpha-2/delta-3
Organism : Homo sapiens
Q8IZS8 ENSG00000157445
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-8 subunit
Organism : Homo sapiens
Q8WXS5 ENSG00000142408
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-6 subunit
Organism : Homo sapiens
Q9BXT2 ENSG00000130433
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel subunit alpha-2/delta-2
Organism : Homo sapiens
Q9NY47 ENSG00000007402
Protein: Voltage-gated calcium channel
Description: Voltage-dependent T-type calcium channel subunit alpha-1I
Organism : Homo sapiens
Q9P0X4 ENSG00000100346
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-4 subunit
Organism : Homo sapiens
Q9UBN1 ENSG00000075461
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-5 subunit
Organism : Homo sapiens
Q9UF02 ENSG00000075429
Protein: Voltage-gated calcium channel
Description: Voltage-dependent calcium channel gamma-2 subunit
Organism : Homo sapiens
Q9Y698 ENSG00000166862

Cross References

Resources Reference
ChEBI 52715
ChEMBL CHEMBL1200382
FDA SRS 4W2P15D93M
Guide to Pharmacology 2337
KEGG C06847
PDB BEP
PubChem 91725
SureChEMBL SCHEMBL40955
ZINC ZINC03830283
CONTENTS