NAV

Sotirimod

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

Identification

Generic Name
Sotirimod
DrugBank Accession Number
DB05680
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 255.325
Monoisotopic: 255.148395567
Chemical Formula
C14H17N5
Synonyms
  • Sotirimod
External IDs
  • R-850
  • S-30594
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Pharmacology

Indication

Investigated for use/treatment in actinic keratosis and skin infections/disorders.

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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
X04FQM7J4M
CAS number
227318-75-4
InChI Key
ZXBCLVSLRUWISJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)
IUPAC Name
2-methyl-1-(2-methylpropyl)-1H-imidazo[4,5-c]1,5-naphthyridin-4-amine
SMILES
CC(C)CN1C(C)=NC2=C1C1=NC=CC=C1N=C2N

References

General References
Not Available
ChemSpider
4953368
ChEMBL
CHEMBL2107373
ZINC
ZINC000030691235

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 Solubility0.287 mg/mLALOGPS
logP2.44ALOGPS
logP1.94Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)19.18Chemaxon
pKa (Strongest Basic)3.69Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.62 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity74.46 m3·mol-1Chemaxon
Polarizability28.27 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/MSsplash10-0a4i-0090000000-05e48cccdf486f23f17d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-368774103858093770aa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-d73d2b051f05e6da50ae
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0290000000-39150bdfe45a45bc79ae
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0900-0790000000-9217ab3830dda44aeafb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-0900000000-0e64f5aa7cee8cbb168f
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]-167.5700236
predicted
DarkChem Lite v0.1.0
[M+H]+167.3128236
predicted
DarkChem Lite v0.1.0
[M+Na]+167.7416236
predicted
DarkChem Lite v0.1.0

Drug created at November 18, 2007 18:26 / Updated at February 21, 2021 18:51