CILNIDIPINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C08CA14
UNII S85436ZG85
EPA CompTox DTXSID0046309

Structure

InChI Key KJEBULYHNRNJTE-DHZHZOJOSA-N
Smiles COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28N2O7
Molecular Weight 492.53
AlogP 4.28
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 117.0
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1.1-1.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 1.1-1.1 - - 46

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

Related Entries

Cross References

Resources Reference
ChEBI 31399
ChEMBL CHEMBL452076
DrugBank DB09232
DrugCentral 642
FDA SRS S85436ZG85
Guide to Pharmacology 7767
PubChem 5282138
SureChEMBL SCHEMBL25550
CONTENTS