Structure

InChI Key HMJIYCCIJYRONP-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12
InChI
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N3O5
Molecular Weight 371.39
AlogP 2.58
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 103.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER Wikipedia Wikipedia Wikipedia Wikipedia DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.2 - - 7.7-47.5
Oryctolagus cuniculus
- 107 - - -
Rattus norvegicus
- 221 - - -

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 6073
ChEMBL CHEMBL1648
DrugBank DB00270
DrugCentral 1511
FDA SRS YO1UK1S598
Human Metabolome Database HMDB0014415
Guide to Pharmacology 4488
KEGG D00349
PharmGKB PA450131
PubChem 3784
SureChEMBL SCHEMBL34555
ZINC ZINC22001248