NAV

GDC-0152

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

Identification

Generic Name
GDC-0152
DrugBank Accession Number
DB12380
Background

GDC-0152 has been used in trials studying the treatment of Solid Cancers.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 498.65
Monoisotopic: 498.241310153
Chemical Formula
C25H34N6O3S
Synonyms
Not Available
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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 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
N-acyl-alpha amino acids and derivatives / Proline and derivatives / Alpha amino acid amides / Alanine and derivatives / Pyrrolidinecarboxamides / N-arylamides / N-acylpyrrolidines / Benzene and substituted derivatives / Heteroaromatic compounds / Tertiary carboxylic acid amides
show 7 more
Substituents
Alanine or derivatives / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4KW1M48SHS
CAS number
873652-48-3
InChI Key
WZRFLSDVFPIXOV-LRQRDZAKSA-N
InChI
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
IUPAC Name
(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-(4-phenyl-1,2,3-thiadiazol-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=NS1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
46940575
PubChem Substance
347828628
ChemSpider
28521870
BindingDB
50388975
ChEMBL
CHEMBL2063869
ZINC
ZINC000084654490

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentSolid Cancers1

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 Solubility0.00823 mg/mLALOGPS
logP1.74ALOGPS
logP2.76Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)9.51Chemaxon
pKa (Strongest Basic)8.55Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area116.32 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity135.05 m3·mol-1Chemaxon
Polarizability53.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-01ot-2424900000-4b2d58ea8db95c1caa9e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0210900000-f14e3533f55dd8d5dc19
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-5918400000-0f319657dcdc4a00e734
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-8987700000-0ef9b1b23c97e1c4234f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-6934500000-533f9e12a8d5f6b06bf1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03y3-2931200000-b32783e953db8c8bae7e
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]-220.3106739
predicted
DarkChem Lite v0.1.0
[M-H]-211.78044
predicted
DeepCCS 1.0 (2019)
[M+H]+221.5711739
predicted
DarkChem Lite v0.1.0
[M+H]+214.17601
predicted
DeepCCS 1.0 (2019)
[M+Na]+221.0570739
predicted
DarkChem Lite v0.1.0
[M+Na]+220.08852
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:09 / Updated at June 12, 2020 16:53