Structure

InChI Key AIKVCUNQWYTVTO-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl
InChI
InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30ClN3O6
Molecular Weight 515.99
AlogP 3.68
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 111.01
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER FDA PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 56.95-67.41

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 7551
ChEMBL CHEMBL1200326
FDA SRS K5BC5011K3
KEGG C07264
PubChem 41114
SureChEMBL SCHEMBL41845
ZINC ZINC84400879