GDC-0917
Star0
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
- Weight
- Average: 564.71
Monoisotopic: 564.251874837 - Chemical Formula
- C29H36N6O4S
- Synonyms
- Not Available
- External IDs
- CUDC-427
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
- 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
- External Links
- PubChem Compound
- 71600094
- PubChem Substance
- 347828595
- ChemSpider
- 35308299
- ZINC
- ZINC000206792055
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Solid Cancers 1 1 Terminated Treatment 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 0.0281 mg/mL ALOGPS logP 2.99 ALOGPS logP 3.25 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 9.92 Chemaxon pKa (Strongest Basic) 8.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 129.46 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 171.74 m3·mol-1 Chemaxon Polarizability 61.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 228.46483 predictedDeepCCS 1.0 (2019) [M+H]+ 230.61574 predictedDeepCCS 1.0 (2019) [M+Na]+ 236.4119 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:00 / Updated at June 12, 2020 16:53