GDC-0349

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

Identification

Generic Name
GDC-0349
DrugBank Accession Number
DB13072
Background

GDC-0349 has been used in trials studying the treatment of Non-Hodgkin's Lymphoma, Solid Tumor.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 452.559
Monoisotopic: 452.253588914
Chemical Formula
C24H32N6O3
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridopyrimidines
Sub Class
Not Available
Direct Parent
Pyridopyrimidines
Alternative Parents
N-phenylureas / Dialkylarylamines / Aminopyrimidines and derivatives / Aralkylamines / Morpholines / Imidolactams / Heteroaromatic compounds / Ureas / Trialkylamines / Oxetanes
show 6 more
Substituents
Amine / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Dialkyl ether / Dialkylarylamine / Ether
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
579255I6O9
CAS number
1207360-89-1
InChI Key
RGJOJUGRHPQXGF-INIZCTEOSA-N
InChI
InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1
IUPAC Name
3-ethyl-1-(4-{4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-yl}phenyl)urea
SMILES
CCNC(=O)NC1=CC=C(C=C1)C1=NC2=C(CCN(C2)C2COC2)C(=N1)N1CCOC[C@@H]1C

References

General References
Not Available
PubChem Compound
59239165
PubChem Substance
347829200
ChemSpider
28637795
BindingDB
50428123
ChEMBL
CHEMBL2331680
ZINC
ZINC000095587536

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSolid Tumor, Non-Hodgkin's Lymphoma1

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 Solubility0.0367 mg/mLALOGPS
logP2.26ALOGPS
logP2.88Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)13.05Chemaxon
pKa (Strongest Basic)5.73Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area91.85 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity139.63 m3·mol-1Chemaxon
Polarizability50.6 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0udi-0000900000-5f7c23b9998c33b576d2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0560-1003900000-9f397c083bc08962b59e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfu-4001900000-adfc46d1f5fa24115cea
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1002900000-c50940762719d434b691
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0wn9-0009800000-95f362d491f0bda16a26
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pi0-0029800000-25262b19b261598f1b2f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-242.6552892
predicted
DarkChem Lite v0.1.0
[M-H]-197.34099
predicted
DeepCCS 1.0 (2019)
[M+H]+243.0442892
predicted
DarkChem Lite v0.1.0
[M+H]+199.73656
predicted
DeepCCS 1.0 (2019)
[M+Na]+242.4218892
predicted
DarkChem Lite v0.1.0
[M+Na]+205.87895
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:41 / Updated at June 12, 2020 16:53