NAV

Fadrozole

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

Identification

Generic Name
Fadrozole
DrugBank Accession Number
DB16832
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 223.279
Monoisotopic: 223.110947431
Chemical Formula
C14H13N3
Synonyms
  • Fadrozole
External IDs
  • CGS 16949A
  • CGS-16949A
  • CGS16949A
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
H3988M64PU
CAS number
102676-47-1
InChI Key
CLPFFLWZZBQMAO-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
IUPAC Name
4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonitrile
SMILES
N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12

References

General References
Not Available
Human Metabolome Database
HMDB0252157
ChemSpider
53850
BindingDB
8611
ChEBI
94355
ChEMBL
CHEMBL9298
Wikipedia
Fadrozole

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 Solubility0.343 mg/mLALOGPS
logP2.5ALOGPS
logP2.41Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)6.87Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area41.61 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity66.46 m3·mol-1Chemaxon
Polarizability24.24 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-00di-0090000000-dfd7935e085899f32500
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0190000000-d1e2fee2fa6c7b8cf493
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0390000000-fc150a1d205c12c32562
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0790000000-77929d63ada4c3ed0203
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-0900000000-14ba2bc94ceec8bf6f0e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-016r-3900000000-c2a1874fd1a059deac3d
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]-159.1058707
predicted
DarkChem Lite v0.1.0
[M+H]+165.1694102
predicted
DarkChem Lite v0.1.0
[M+Na]+180.5561763
predicted
DarkChem Lite v0.1.0

Drug created at July 18, 2022 15:55 / Updated at December 01, 2022 11:31