Cridanimod

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

Identification

Generic Name
Cridanimod
DrugBank Accession Number
DB13674
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 253.2527
Monoisotopic: 253.073893223
Chemical Formula
C15H11NO3
Synonyms
  • Cridanimod

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Cridanimod sodium54W868ROLR58880-43-6FQMLTEAEJZVTAJ-UHFFFAOYSA-M

Categories

ATC Codes
L03AX18 — Cridanimod
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Benzoquinolines
Direct Parent
Acridones
Alternative Parents
Hydroquinolones / Hydroquinolines / Alpha amino acids and derivatives / Pyridines and derivatives / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds
show 5 more
Substituents
Acridone / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dihydroquinoline / Dihydroquinolone
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
X91E9EME19
CAS number
38609-97-1
InChI Key
UOMKBIIXHQIERR-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
IUPAC Name
2-(9-oxo-9,10-dihydroacridin-10-yl)acetic acid
SMILES
OC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12

References

General References
Not Available
Human Metabolome Database
HMDB0246234
ChemSpider
34903
BindingDB
50511089
ChEBI
136036
ChEMBL
CHEMBL1569545
ZINC
ZINC000003878688
PDBe Ligand
1K5
PDB Entries
4jc5

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentEndometrial Cancer1
2Unknown StatusTreatmentRecurrent or Persistent Endometrial Carcinoma1

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 Solubility0.197 mg/mLALOGPS
logP2.55ALOGPS
logP2.6Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.68Chemaxon
pKa (Strongest Basic)-3.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area57.61 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity70.04 m3·mol-1Chemaxon
Polarizability25.57 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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0002-2920000000-b0134d6ccd3319a31756
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0002-2920000000-b0134d6ccd3319a31756
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-93c578ddab371122ea4d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-0090000000-ba000d4d5c792f481b26
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-d0b0dc2ec8d23ff40d33
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-f50bbbc49cc9aba2473c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-8090000000-ea1ec3a4ac15dcc9adf8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1970000000-d0afe79f09fce85d1907
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]-162.5425883
predicted
DarkChem Lite v0.1.0
[M-H]-162.2570883
predicted
DarkChem Lite v0.1.0
[M-H]-149.2741
predicted
DeepCCS 1.0 (2019)
[M+H]+162.7577883
predicted
DarkChem Lite v0.1.0
[M+H]+162.9075883
predicted
DarkChem Lite v0.1.0
[M+H]+151.66966
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.7248883
predicted
DarkChem Lite v0.1.0
[M+Na]+162.8011883
predicted
DarkChem Lite v0.1.0
[M+Na]+157.58217
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at September 28, 2023 05:48