DILTIAZEM HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII OLH94387TE
EPA CompTox DTXSID8040147
Parent Compound: DILTIAZEM

Structure

InChI Key HDRXZJPWHTXQRI-BHDTVMLSSA-N
Smiles COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl
InChI
InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27ClN2O4S
Molecular Weight 450.99
AlogP 3.37
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 59.08
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER DailyMed Wikipedia Wikipedia Wikipedia Wikipedia
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
- - - - 26.71-80.81
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 50.12-416.87 - -
Cricetulus griseus
- - - - 26.71-80.81

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 645509
ChEMBL CHEMBL1697
FDA SRS OLH94387TE
Guide to Pharmacology 2298
KEGG C06958
PubChem 62920
SureChEMBL SCHEMBL20394103
ZINC ZINC00621893
CONTENTS