NIMODIPINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C08CA06
UNII: 57WA9QZ5WH

Structure
InChI Key UIAGMCDKSXEBJQ-UHFFFAOYSA-N
Smile COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N2O7
Molecular Weight 418.45
AlogP 2.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 117.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mineralocorticoid receptor antagonist PubMed
Primary Target
Mineralocorticoid receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- 14000 - - 25
Auxiliary transport protein Calcium channel auxiliary subunit beta family
- 14000 - - 25
Auxiliary transport protein Calcium channel auxiliary subunit gamma family
- 14000 - - 25
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 7200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 2170 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 1690 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 18300 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 1780 - - 85
Enzyme
- 1690 - - 85
Ion channel Voltage-gated ion channel Transient receptor potential channel
800 - - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 110 - - 46-50
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 20100 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
- 8960 - - 68
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
390 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 38
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 10100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Subarachnoid Hemorrhage 3 D013345 ClinicalTrials
Neurilemmoma 2 D009442 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Infertility 2 D007246 ClinicalTrials
Intracranial Aneurysm 1 D002532 ClinicalTrials
Schizophrenia 0 D012559 ClinicalTrials
Cerebrovascular Disorders 0 D002561 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.6
Gastrointestinal disorders
14.4
Vascular disorders
13.6
Injury, poisoning and procedural complications
12.8
General disorders and administration site conditions
9.6
Cardiac disorders
7.2
Psychiatric disorders
7.2
Respiratory, thoracic and mediastinal disorders
5.6
Immune system disorders
3.2
Renal and urinary disorders
3.2
Musculoskeletal and connective tissue disorders
2.4

Cross References

Resources Reference
CAS NUMBER 66085-59-4
ChEBI 7575
ChEMBL CHEMBL1428
DrugBank DB00393
DrugCentral 1937
EPA CompTox DTXSID5023370
FDA SRS 57WA9QZ5WH
Human Metabolome Database HMDB0014537
Guide to Pharmacology 2523
KEGG C07267
PharmGKB PA450633
PubChem 4497
SureChEMBL SCHEMBL34041
ZINC ZINC19632718
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