Trade Names
Synonyms
Status
Molecule Category Mixture
UNII CQ27G2BZJM

Structure

InChI Key TZNOWAJJWCGILX-BTJKTKAUSA-N
Smiles CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClN2O9
Molecular Weight 524.95
AlogP 2.27
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 28.0

Bioactivity

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER DailyMed Wikipedia Wikipedia Wikipedia Wikipedia
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
ChEMBL CHEMBL1200984
FDA SRS CQ27G2BZJM
PubChem 6435922
SureChEMBL SCHEMBL121252