Mapracorat

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

Identification

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Name
Mapracorat
Accession Number
DB12041
Type
Small Molecule
Groups
Investigational
Description

Mapracorat has been investigated for the treatment of Eczema and Atopic Dermatitis.

Structure
Thumb
Synonyms
Not Available
External IDs
BOL-303242-X / BOL-303242X / ZK 245186 / ZK-245186
Categories
UNII
145V79YBVP
CAS number
887375-26-0
Weight
Average: 462.489
Monoisotopic: 462.193040737
Chemical Formula
C25H26F4N2O2
InChI Key
VJGFOYBQOIPQFY-XMMPIXPASA-N
InChI
InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1
IUPAC Name
(2R)-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)pentan-2-ol
SMILES
CC1=CC=C2C(NC[C@](O)(CC(C)(C)C3=CC(F)=CC4=C3OCC4)C(F)(F)F)=CC=CC2=N1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24795088
PubChem Substance
347828352
ChemSpider
25104194
ChEMBL
CHEMBL2103876
Wikipedia
Mapracorat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableCorneal Endothelial Cell Changes1
1CompletedTreatmentPsoriasis1
2CompletedPreventionConjunctivitis, Seasonal Allergic1
2CompletedTreatmentAtopic Dermatitis (AD)2
2CompletedTreatmentAtopic Dermatitis (AD) / Dermatitis, Eczematous3
2CompletedTreatmentCataracts / Inflammatory Reaction1
2CompletedTreatmentDry Eye Syndrome (DES)1
3CompletedTreatmentCataracts1
3CompletedTreatmentCataracts / General Surgery / Inflammatory Reaction2
3TerminatedTreatmentCataracts / Inflammatory Reaction / Pain NOS1

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 Solubility0.00337 mg/mLALOGPS
logP4.99ALOGPS
logP5.05ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)10.86ChemAxon
pKa (Strongest Basic)5.81ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.38 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity119.05 m3·mol-1ChemAxon
Polarizability45.38 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Aminoquinolines and derivatives
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Coumarans / Secondary alkylarylamines / Alkyl aryl ethers / Aralkylamines / Methylpyridines / Aryl fluorides / Benzenoids / Tertiary alcohols / Heteroaromatic compounds / 1,2-aminoalcohols
show 6 more
Substituents
Aminoquinoline / Coumaran / Secondary aliphatic/aromatic amine / Alkyl aryl ether / Methylpyridine / Aralkylamine / Aryl halide / Aryl fluoride / Pyridine / Benzenoid
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:14 / Updated on June 04, 2019 07:30