NISOLDIPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C08CA07
UNII 4I8HAB65SZ
EPA CompTox DTXSID0023371

Structure

InChI Key VKQFCGNPDRICFG-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]
InChI
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2O6
Molecular Weight 388.42
AlogP 3.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 107.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER DailyMed Wikipedia Wikipedia Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 0
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 3-730 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 25.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 80-730 - - 25.9
Cricetulus griseus
- 3 - - -
Homo sapiens
- - - - 0
Rattus norvegicus
- - 18 - -

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 76917
ChEMBL CHEMBL1726
DrugBank DB00401
DrugCentral 1942
FDA SRS 4I8HAB65SZ
Human Metabolome Database HMDB0014545
Guide to Pharmacology 2524
KEGG C07699
PharmGKB PA450634
PubChem 4499
SureChEMBL SCHEMBL39779
ZINC ZINC19632706
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