Uprosertib

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

Identification

Name
Uprosertib
Accession Number
DB11969
Type
Small Molecule
Groups
Investigational
Description

Uprosertib has been used in trials studying the treatment of Cancer, Melanoma, Solid Tumours, Cervical Cancer, and HER2/Neu Negative, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK-2141795C / GSK2141795 / GSK2141795C
Product Ingredients
IngredientUNIICASInChI Key
Uprosertib Hydrochloride50IE5H22B21047635-80-2LAPFKCIDRPWAFU-PPHPATTJSA-N
Categories
UNII
ZXM835LQ5E
CAS number
1047634-65-0
Weight
Average: 429.25
Monoisotopic: 428.0618375
Chemical Formula
C18H16Cl2F2N4O2
InChI Key
AXTAPYRUEKNRBA-JTQLQIEISA-N
InChI
InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1
IUPAC Name
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
SMILES
CN1N=CC(Cl)=C1C1=C(Cl)OC(=C1)C(=O)N[C@H](CN)CC1=CC=C(F)C(F)=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
51042438
PubChem Substance
347828293
ChemSpider
32701836
ChEMBL
CHEMBL3137336

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentEndometrial Adenocarcinomas / Endometrial Clear Cell Adenocarcinoma / Endometrial Mixed Adenocarcinoma / Endometrial Serous Adenocarcinoma / Endometrial Undifferentiated Carcinoma / Recurrent Uterine Corpus Carcinoma1
1CompletedTreatmentMalignancies2
1CompletedTreatmentTumors, Solid1
1, 2SuspendedTreatmentAdult Solid Neoplasm / Recurrent Colon Carcinoma / Recurrent Melanoma / Recurrent Ovarian Carcinoma / Stage IIIC Colon Cancer / Stage IIIC Ovarian Cancer / Stage IIIC Skin Melanoma / Stage IV Skin Melanoma1
2Active Not RecruitingTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Invasive Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
2Active Not RecruitingTreatmentRecurrent Plasma Cell Myeloma / Refractory Plasma Cell Myeloma1
2CompletedTreatmentRecurrent Uveal Melanoma / Stage IV Uveal Melanoma / Stage IV Uveal Melanoma AJCC v71
2TerminatedTreatmentCervical Cancers1
2TerminatedTreatmentRecurrent Adult Acute Myeloid Leukemia / Untreated Adult Acute Myeloid Leukemia1
2Unknown StatusTreatmentMelanoma1

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 Solubility0.0351 mg/mLALOGPS
logP3.26ALOGPS
logP2.59ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)14.04ChemAxon
pKa (Strongest Basic)9.02ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area86.08 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.37 m3·mol-1ChemAxon
Polarizability39.38 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenethylamines
Direct Parent
Amphetamines and derivatives
Alternative Parents
2-heteroaryl carboxamides / Furoic acid and derivatives / Aralkylamines / Fluorobenzenes / Aryl chlorides / Aryl fluorides / Pyrazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives
show 9 more
Substituents
Amphetamine or derivatives / 2-heteroaryl carboxamide / Furoic acid or derivatives / Aralkylamine / Fluorobenzene / Halobenzene / Aryl chloride / Aryl fluoride / Aryl halide / Heteroaromatic compound
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:06 / Updated on November 02, 2018 09:02