NAV

Nicaraven

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

Identification

Generic Name
Nicaraven
DrugBank Accession Number
DB06397
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 284.319
Monoisotopic: 284.127325771
Chemical Formula
C15H16N4O2
Synonyms
Not Available
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Pharmacology

Indication

Investigated for use/treatment in cerebrovascular disease (unspecified).

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Pharmacodynamics

Not Available

Mechanism of action

Nicaraven is presently being developed for the treatment of cerebral stroke including subarachnoid hemorrhage. This drug is promising because some data suggest it to have an ability to scavenge the hydroxyl radical under physiological conditions in vivo, while it also has a high permeability through the blood brain barrier.

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

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International/Other Brands
Antevas

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
UD8PEV6JBD
CAS number
79455-30-4
InChI Key
KTXBOOWDLPUROC-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)
IUPAC Name
N-{1-[(pyridin-3-yl)formamido]propan-2-yl}pyridine-3-carboxamide
SMILES
CC(CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC=CN=C1

References

General References
Not Available
ChemSpider
64369
ChEMBL
CHEMBL1705525

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0706 mg/mLALOGPS
logP0.19ALOGPS
logP-0.095Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)13.58Chemaxon
pKa (Strongest Basic)3.92Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.98 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity78.2 m3·mol-1Chemaxon
Polarizability29.89 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01s9-0940000000-d2ac642345cb3101c2e3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-1900000000-10da473c22a8d1121fda
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1910000000-352197b94b5dc5b43b63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-9300000000-a64e7f30156af0938105
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1910000000-da9003db34791f6e60e0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-057l-9710000000-4f36182834c1987c1d38
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-166.31259
predicted
DeepCCS 1.0 (2019)
[M+H]+168.6706
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.76375
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:28 / Updated at June 12, 2020 16:52