D-157495
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 32700111
- BindingDB
- 50237200
- ChEMBL
- CHEMBL4072132
- ZINC
- ZINC000118210078
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
Property Value Source Water Solubility 0.00436 mg/mL ALOGPS logP 4.51 ALOGPS logP 4.3 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 16.54 Chemaxon pKa (Strongest Basic) 7.79 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 90.29 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 119.42 m3·mol-1 Chemaxon Polarizability 44.09 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2022 22:54 / Updated at December 01, 2022 11:32