E-6005

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
E-6005
Accession Number
DB12776
Type
Small Molecule
Groups
Investigational
Description

E6005 has been used in trials studying the treatment of Atopic Dermatitis.

Structure
Thumb
Synonyms
Not Available
External IDs
E6005
Categories
UNII
TO043KKB9C
CAS number
947620-48-6
Weight
Average: 472.501
Monoisotopic: 472.174669889
Chemical Formula
C26H24N4O5
InChI Key
BBTFKAOFCSOZMB-UHFFFAOYSA-N
InChI
InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)
IUPAC Name
methyl 4-({3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl}carbamoyl)benzoate
SMILES
CNC1=NC(C2=CC=CC(NC(=O)C3=CC=C(C=C3)C(=O)OC)=C2)=C2C=C(OC)C(OC)=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
DrugInteraction
RiociguatE-6005 may increase the hypotensive activities of Riociguat.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24864553
PubChem Substance
347828958
ChemSpider
32701117
ChEMBL
CHEMBL3989967

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentAtopic Dermatitis (AD)2
2CompletedTreatmentAtopic Dermatitis (AD)1

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 Solubility0.00449 mg/mLALOGPS
logP4.03ALOGPS
logP4.39ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)12.54ChemAxon
pKa (Strongest Basic)4.56ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area111.67 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity134.19 m3·mol-1ChemAxon
Polarizability50.32 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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 benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Phenylpyrimidines / Quinazolinamines / Benzoic acid esters / Benzamides / Benzoyl derivatives / Anisoles / Aminopyrimidines and derivatives / Alkyl aryl ethers / Methyl esters / Heteroaromatic compounds
show 5 more
Substituents
Benzanilide / 4-phenylpyrimidine / Quinazolinamine / Benzoate ester / Quinazoline / Benzamide / Benzoic acid or derivatives / Anisole / Benzoyl / Phenol ether
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:11 / Updated on June 04, 2019 07:42