NAV

AC-262536

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

Identification

Generic Name
AC-262536
DrugBank Accession Number
DB13935
Background

A selective androgen receptor modulator.

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 278.355
Monoisotopic: 278.141913208
Chemical Formula
C18H18N2O
Synonyms
Not Available
External IDs
  • AC 262536
  • AC-262,536
  • AC-262536
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Tropane alkaloids / Dialkylarylamines / Piperidines / Pyrrolidines / Secondary alcohols / Cyclic alcohols and derivatives / Nitriles / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alcohol / Amine / Aromatic heteropolycyclic compound / Azacycle / Carbonitrile / Cyclic alcohol / Dialkylarylamine / Hydrocarbon derivative / Naphthalene / Nitrile
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U8VS41J5O6
CAS number
870888-46-3
InChI Key
ATKWLNSCJYLXPF-FICVDOATSA-N
InChI
InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14+,15+
IUPAC Name
4-[(1R,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILES
[H][C@]12CC[C@]([H])(C[C@H](O)C1)N2C1=CC=C(C#N)C2=CC=CC=C12

References

General References
  1. Piu F, Gardell LR, Son T, Schlienger N, Lund BW, Schiffer HH, Vanover KE, Davis RE, Olsson R, Bradley SR: Pharmacological characterization of AC-262536, a novel selective androgen receptor modulator. J Steroid Biochem Mol Biol. 2008 Mar;109(1-2):129-37. doi: 10.1016/j.jsbmb.2007.11.001. Epub 2007 Nov 22. [Article]
ChemSpider
31129035
ChEMBL
CHEMBL3084525
ZINC
ZINC000103238128
Wikipedia
AC-262,536

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 Solubility0.084 mg/mLALOGPS
logP3.14ALOGPS
logP2.77Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)15.16Chemaxon
pKa (Strongest Basic)2.03Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area47.26 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity83.26 m3·mol-1Chemaxon
Polarizability30.61 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-004i-0090000000-0e77381f38257ca67378
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-087ad3e8b38c467b3bac
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-e25c75e86b6ffa5c969d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-1ffbfe1f4dfea9a2bd2d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ugj-0290000000-a0616d1944f514c88dd9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fv-1890000000-041bdc2a3b18ecab075b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 22, 2017 19:01 / Updated at June 12, 2020 16:53