NISOLDIPINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08CA07
UNII: 4I8HAB65SZ

Structure
InChI Key VKQFCGNPDRICFG-UHFFFAOYSA-N
Smile 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

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 Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 1000 - - -
Enzyme Hydrolase
- - - - 5.996
Enzyme Oxidoreductase
- - - - 0
Enzyme Transferase
- - - - -3.09-7.13
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -43.49-2.12
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 23000 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 80-730 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 26000 - - 25.9
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 4058 - 2278 -
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
7900-12600 - - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 33000-33000 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 16500 - - -

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.5
Investigations
11.28
Vascular disorders
9.26
Injury, poisoning and procedural complications
8.29
Cardiac disorders
7.52
Gastrointestinal disorders
7.14
Nervous system disorders
5.3
Respiratory, thoracic and mediastinal disorders
4.53
Musculoskeletal and connective tissue disorders
4.15
Skin and subcutaneous tissue disorders
4.15
Metabolism and nutrition disorders
3.38
Surgical and medical procedures
3.09
Psychiatric disorders
2.89
Renal and urinary disorders
2.6

Cross References

Resources Reference
CAS NUMBER 63675-72-9
ChEBI 76917
ChEMBL CHEMBL1726
DrugBank DB00401
DrugCentral 1942
EPA CompTox DTXSID0023371
FDA SRS 4I8HAB65SZ
Human Metabolome Database HMDB14545
Guide to Pharmacology 2524
KEGG C07699
PharmGKB PA450634
PubChem 4499
SureChEMBL SCHEMBL39779
ZINC ZINC19632706
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