CILNIDIPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08CA14
UNII: 97T5AZ1JIP

Structure
InChI Key KJEBULYHNRNJTE-DHZHZOJOSA-N
Smile 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

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5.385
Enzyme Transferase
- - - - 9.961
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.18-19.63
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1600-26000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 2 D016891 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 132203-70-4
ChEBI 31399
ChEMBL CHEMBL452076
DrugBank DB09232
DrugCentral 642
EPA CompTox DTXSID0046309
FDA SRS 97T5AZ1JIP
Guide to Pharmacology 7767
PubChem 5282138
SureChEMBL SCHEMBL25550
CONTENTS