NAV

SRA-737

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

Identification

Generic Name
SRA-737
DrugBank Accession Number
DB16876
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 379.347
Monoisotopic: 379.136842652
Chemical Formula
C16H16F3N7O
Synonyms
Not Available
External IDs
  • CCT-245737
  • PNT-737
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
QB6LNL4NF6
CAS number
1489389-18-5
InChI Key
YBYYWUUUGCNAHQ-LLVKDONJSA-N
InChI
InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
IUPAC Name
5-{[4-({[(2R)-morpholin-2-yl]methyl}amino)-5-(trifluoromethyl)pyridin-2-yl]amino}pyrazine-2-carbonitrile
SMILES
FC(F)(F)C1=CN=C(NC2=CN=C(C=N2)C#N)C=C1NC[C@H]1CNCCO1

References

General References
Not Available
ChemSpider
58145124
BindingDB
328993
ChEMBL
CHEMBL4169078
ZINC
ZINC000205442186

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 Solubility0.107 mg/mLALOGPS
logP1.63ALOGPS
logP0.92Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)10.2Chemaxon
pKa (Strongest Basic)8.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area107.78 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity91.69 m3·mol-1Chemaxon
Polarizability35.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0f89-0509000000-57b638d67de82e4e9633
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-a7290704fe2da0bfe006
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-ab8f102895b00db1ec5b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-0049000000-4e5ddb0902598f313e26
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udl-4569000000-a417bf80111ac805d67b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1393000000-68a2861df1175ddf5e81
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 28, 2022 14:43 / Updated at December 01, 2022 11:32