NAV

NNC-55-0396 free base

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
NNC-55-0396 free base
DrugBank Accession Number
DB17037
Background

NNC-55-0396 is a T-type Ca(2+) channel inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 491.651
Monoisotopic: 491.294805639
Chemical Formula
C30H38FN3O2
Synonyms
  • Cyclopropanecarboxylic acid, (1s,2s)-2-(2-((3-(1h-benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester
External IDs
  • NNC-55-0396 FREE BASE
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
NNC-55-0396 dihydrochloride0A7CE46ERM357400-13-6Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
MET7ZRB8Y7
CAS number
357400-14-7
InChI Key
VHHVPDKNKPNKHY-JDXGNMNLSA-N
InChI
InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1
IUPAC Name
(1S,2S)-2-(2-{[3-(1H-1,3-benzodiazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl cyclopropanecarboxylate
SMILES
CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2

References

General References
  1. Kim KH, Kim D, Park JY, Jung HJ, Cho YH, Kim HK, Han J, Choi KY, Kwon HJ: NNC 55-0396, a T-type Ca2+ channel inhibitor, inhibits angiogenesis via suppression of hypoxia-inducible factor-1alpha signal transduction. J Mol Med (Berl). 2015 May;93(5):499-509. doi: 10.1007/s00109-014-1235-1. Epub 2014 Dec 4. [Article]
ChemSpider
8132889
ChEBI
93374
ChEMBL
CHEMBL1551597
ZINC
ZINC000003942155

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000588 mg/mLALOGPS
logP6.09ALOGPS
logP6.11Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)12.54Chemaxon
pKa (Strongest Basic)9.82Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area58.22 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity140.68 m3·mol-1Chemaxon
Polarizability56.52 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 17:32 / Updated at December 13, 2022 10:46