D-157495

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

Identification

Generic Name
D-157495
DrugBank Accession Number
DB16938
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 432.35
Monoisotopic: 431.1279658
Chemical Formula
C21H23Cl2N5O
Synonyms
  • 2,4-quinazolinediamine, 5-((1-((2,6-dichlorophenyl)methyl)-4-piperidinyl)methoxy)-
  • 5-(1-(2,6-dichlorobenzyl)-piperidin-4-yl)methoxyquinazoline-2,4-diamine
  • 5-[1-(2,6-Dichlorobenzyl)-Piperidin-4-yl]Methoxyquinazoline-2,4-Diamine
  • RG-3039
  • RG3039
External IDs
  • D-157495
  • D157495
  • PF-06687859

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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
KSV93L7URW
CAS number
1005504-62-0
InChI Key
MNLHFGXIUJNDAF-UHFFFAOYSA-N
InChI
InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
IUPAC Name
5-({1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl}methoxy)quinazoline-2,4-diamine
SMILES
NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C=CC=C3Cl)CC1)=CC=C2

References

General References
Not Available
ChemSpider
32700111
BindingDB
50237200
ChEMBL
CHEMBL4072132
ZINC
ZINC000118210078

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00436 mg/mLALOGPS
logP4.51ALOGPS
logP4.3Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)16.54Chemaxon
pKa (Strongest Basic)7.79Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area90.29 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119.42 m3·mol-1Chemaxon
Polarizability44.09 Å3Chemaxon
Number of Rings4Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 13, 2022 22:54 / Updated at December 01, 2022 11:32