NAV

GDC-0134

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

Identification

Generic Name
GDC-0134
DrugBank Accession Number
DB17079
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 440.403
Monoisotopic: 440.15838656
Chemical Formula
C19H20F4N6O2
Synonyms
  • 2-pyridinamine, 3-(difluoromethoxy)-5-(2-(3,3-difluoro-1-pyrrolidinyl)-6-(1s,4s)-2-oxa-5-azabicyclo(2.2.1)hept-5-yl-4-pyrimidinyl)-
External IDs
  • GDC-0134
  • RG-6000
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4N6KQ7D685
CAS number
1637394-01-4
InChI Key
SKMKJBYBPYBDMN-RYUDHWBXSA-N
InChI
InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1
IUPAC Name
3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
SMILES
NC1=NC=C(C=C1OC(F)F)C1=CC(=NC(=N1)N1CCC(F)(F)C1)N1C[C@@H]2C[C@H]1CO2

References

General References
Not Available
ChemSpider
58916542
ChEMBL
CHEMBL3732012
ZINC
ZINC000220774924

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAmyotrophic Lateral Sclerosis (ALS)2
1CompletedTreatmentHealthy Volunteers (HV)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 Solubility0.762 mg/mLALOGPS
logP2.58ALOGPS
logP3.48Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)19.31Chemaxon
pKa (Strongest Basic)6.19Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.63 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.39 m3·mol-1Chemaxon
Polarizability40.78 Å3Chemaxon
Number of Rings5Chemaxon
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 October 25, 2022 15:12 / Updated at December 01, 2022 11:34