NAV

GSK-690693

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

Identification

Generic Name
GSK-690693
DrugBank Accession Number
DB12745
Background

GSK690693 has been used in trials studying the treatment of Tumor, CANCER, and Lymphoma.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 425.4842
Monoisotopic: 425.217537765
Chemical Formula
C21H27N7O3
Synonyms
Not Available
External IDs
  • GSK 690693
  • GSK690693
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyridines
Sub Class
Imidazo-[4,5-c]pyridines
Direct Parent
Imidazo-[4,5-c]pyridines
Alternative Parents
Alkyl aryl ethers / Ynones / Pyridines and derivatives / Piperidines / N-substituted imidazoles / Imidolactams / Tertiary alcohols / Heteroaromatic compounds / Furazans / Dialkylamines
show 4 more
Substituents
Alcohol / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Ether / Furazan / Heteroaromatic compound / Hydrocarbon derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GWH480321B
CAS number
937174-76-0
InChI Key
KGPGFQWBCSZGEL-ZDUSSCGKSA-N
InChI
InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
IUPAC Name
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-piperidin-3-yl]methoxy}-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILES
[H][C@]1(COC2=C3N(CC)C(=NC3=C(N=C2)C#CC(C)(C)O)C2=NON=C2N)CCCNC1

References

General References
Not Available
PubChem Compound
16725726
PubChem Substance
347828935
ChemSpider
20557532
BindingDB
25013
ChEBI
90677
ChEMBL
CHEMBL494089
ZINC
ZINC000034285211
PDBe Ligand
G93
PDB Entries
3d0e / 5u94

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentCancer1
1WithdrawnTreatmentCancer1

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 Solubility0.0664 mg/mLALOGPS
logP2.25ALOGPS
logP1.17Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)13.27Chemaxon
pKa (Strongest Basic)10.07Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area137.14 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity125.04 m3·mol-1Chemaxon
Polarizability46.04 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a6r-0000900000-276ca467f0e850fa5cbb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-0104900000-ff77efd31f83bbc571ab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0005900000-1ee19dd30836755f900b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-054p-5009200000-cf2226ad73f2c063556b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-2019800000-d7240c761888758c54cb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0169100000-ca811647f5054f2e07e8
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]-226.678514
predicted
DarkChem Lite v0.1.0
[M-H]-206.2075
predicted
DeepCCS 1.0 (2019)
[M+H]+226.627614
predicted
DarkChem Lite v0.1.0
[M+H]+208.5655
predicted
DeepCCS 1.0 (2019)
[M+Na]+226.478514
predicted
DarkChem Lite v0.1.0
[M+Na]+214.65866
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:00 / Updated at June 12, 2020 16:53