S-40503

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

Identification

Generic Name
S-40503
DrugBank Accession Number
DB13938
Background

S-40503 is an investigational selective androgen receptor modulator (SARM) developed for the treatment of osteoporosis by the Japanese company Kaken Pharmaceuticals.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 293.367
Monoisotopic: 293.173941613
Chemical Formula
C15H23N3O3
Synonyms
  • 2-(4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol
External IDs
  • S-40503
  • S40503

Pharmacology

Indication

Not Available

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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 nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Nitroquinolines and derivatives
Direct Parent
Nitroquinolines and derivatives
Alternative Parents
4-aminoquinolines / Hydroquinolines / Nitroaromatic compounds / Secondary alkylarylamines / Aralkylamines / Benzenoids / 1,3-aminoalcohols / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds
show 6 more
Substituents
1,3-aminoalcohol / 4-aminoquinoline / Alcohol / Allyl-type 1,3-dipolar organic compound / Amine / Aminoquinoline / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TBF49WHM83
CAS number
404920-28-1
InChI Key
YNYAUBNZRZVNLX-KBPBESRZSA-N
InChI
InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/m0/s1
IUPAC Name
2-[(2S,4S)-4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropan-1-ol
SMILES
[H][C@]1(C[C@]([H])(N(C)C)C2=C(N1)C=CC(=C2)N(=O)=O)C(C)(C)CO

References

General References
Not Available
ChemSpider
28484571
BindingDB
50355936
ChEMBL
CHEMBL1910411
ZINC
ZINC000013919811
Wikipedia
S-40503

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 Solubility0.552 mg/mLALOGPS
logP2.27ALOGPS
logP1.68Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)14.5Chemaxon
pKa (Strongest Basic)8.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area81.32 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity84.27 m3·mol-1Chemaxon
Polarizability31.39 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 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 21:02 / Updated at June 12, 2020 16:53