NILVADIPINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: C08CA10
UNII: 0214FUT37J

Structure
InChI Key FAIIFDPAEUKBEP-UHFFFAOYSA-N
Smile COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N3O6
Molecular Weight 385.38
AlogP 2.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 131.56
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
890-2000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 75530-68-6
ChEBI 31911
ChEMBL CHEMBL517427
DrugBank DB06712
DrugCentral 1934
EPA CompTox DTXSID2046624
FDA SRS 0214FUT37J
Human Metabolome Database HMDB0015657
Guide to Pharmacology 10160
PharmGKB PA165958385
PubChem 4494
SureChEMBL SCHEMBL33729
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