NAV

GDC-0917

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

Identification

Generic Name
GDC-0917
DrugBank Accession Number
DB12336
Background

CUDC-427 has been used in trials studying the treatment of LYMPHOMA and Solid Cancers.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 564.71
Monoisotopic: 564.251874837
Chemical Formula
C29H36N6O4S
Synonyms
Not Available
External IDs
  • CUDC-427
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Proline and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Alanine and derivatives / 2,4,5-trisubstituted thiazoles / Pyrrolidinecarboxamides / N-acylpyrrolidines / N-arylamides / Benzene and substituted derivatives / Tertiary carboxylic acid amides
show 10 more
Substituents
2,4,5-trisubstituted 1,3-thiazole / Alanine or derivatives / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Azole
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
KWH46ZDG32
CAS number
1446182-94-0
InChI Key
HSHPBORBOJIXSQ-HARLFGEKSA-N
InChI
InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1
IUPAC Name
(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
SMILES
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1=C(N=C(S1)C1=NC=CO1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
71600094
PubChem Substance
347828595
ChemSpider
35308299
ZINC
ZINC000206792055

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSolid Cancers1
1TerminatedTreatmentLymphoma1

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 Solubility0.0281 mg/mLALOGPS
logP2.99ALOGPS
logP3.25Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)9.92Chemaxon
pKa (Strongest Basic)8.58Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area129.46 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity171.74 m3·mol-1Chemaxon
Polarizability61.29 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-014i-1206390000-778630bcb831b46eba13
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0202390000-9654b37ca895b68a0f62
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-3907430000-9209d132e1adf525c505
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01pa-4219520000-8eff9ca58ae3d1c4ebcd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xs-7916260000-48824cbc9b68e766027f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03g3-2942540000-5a4cde7f2dc4a3c19806
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-228.46483
predicted
DeepCCS 1.0 (2019)
[M+H]+230.61574
predicted
DeepCCS 1.0 (2019)
[M+Na]+236.4119
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:00 / Updated at June 12, 2020 16:53