This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Structure for NNC-55-0396 free base (DB17037)
- 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
Pharmacology
- Indication
Not Available
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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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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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Ingredient UNII CAS InChI Key NNC-55-0396 dihydrochloride 0A7CE46ERM 357400-13-6 Not 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
- 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]
- External Links
- ChemSpider
- 8132889
- ChEBI
- 93374
- ChEMBL
- CHEMBL1551597
- ZINC
- ZINC000003942155
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 0.000588 mg/mL ALOGPS logP 6.09 ALOGPS logP 6.11 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 12.54 Chemaxon pKa (Strongest Basic) 9.82 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.22 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 140.68 m3·mol-1 Chemaxon Polarizability 56.52 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 17:32 / Updated at December 13, 2022 10:46