Cimlanod

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

Identification

Generic Name
Cimlanod
DrugBank Accession Number
DB14983
Background

Cimlanod is under investigation in clinical trial NCT02819271 (A First-in-Human Study of the Safety of Single Continuous Intravenous (IV) Infusions of CXL-1427 for up to 48 Hours in Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 177.17
Monoisotopic: 177.009578883
Chemical Formula
C5H7NO4S
Synonyms
  • BMS-986231
  • Cimlanod

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
2US4FK1EPV
CAS number
1620330-72-4
InChI Key
LIXKIXWSKOENAB-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3
IUPAC Name
N-hydroxy-5-methylfuran-2-sulfonamide
SMILES
CC1=CC=C(O1)S(=O)(=O)NO

References

General References
Not Available
ChemSpider
68007456
ZINC
ZINC000145617689
Wikipedia
Cimlanod

Clinical Trials

Clinical Trials

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 Solubility7.12 mg/mLALOGPS
logP0.14ALOGPS
logP0.0052Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)7.93Chemaxon
pKa (Strongest Basic)-3.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area79.54 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity36.9 m3·mol-1Chemaxon
Polarizability15.69 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-001j-9200000000-c09ee44a6b955438eeac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1900000000-1d6fe5c8dc460ad24561
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q0-9000000000-778b51ff25ff69b05f0e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4900000000-cf023ceebd12c56414c3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0wni-9000000000-3d6e35cb05de95b635b8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0h0r-8900000000-3b175f9cc054bee767a0
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:39 / Updated at February 21, 2021 18:55