GDC-0349
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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
- 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
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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
- 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
- External Links
- PubChem Compound
- 59239165
- PubChem Substance
- 347829200
- ChemSpider
- 28637795
- BindingDB
- 50428123
- ChEMBL
- CHEMBL2331680
- ZINC
- ZINC000095587536
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Solid Tumor, Non-Hodgkin's Lymphoma 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
Property Value Source Water Solubility 0.0367 mg/mL ALOGPS logP 2.26 ALOGPS logP 2.88 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 13.05 Chemaxon pKa (Strongest Basic) 5.73 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.85 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 139.63 m3·mol-1 Chemaxon Polarizability 50.6 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-5f7c23b9998c33b576d2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0560-1003900000-9f397c083bc08962b59e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0zfu-4001900000-adfc46d1f5fa24115cea Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-1002900000-c50940762719d434b691 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0wn9-0009800000-95f362d491f0bda16a26 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pi0-0029800000-25262b19b261598f1b2f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 242.6552892 predictedDarkChem Lite v0.1.0 [M-H]- 197.34099 predictedDeepCCS 1.0 (2019) [M+H]+ 243.0442892 predictedDarkChem Lite v0.1.0 [M+H]+ 199.73656 predictedDeepCCS 1.0 (2019) [M+Na]+ 242.4218892 predictedDarkChem Lite v0.1.0 [M+Na]+ 205.87895 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:41 / Updated at June 12, 2020 16:53