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

Identification

Generic Name
Uprosertib
DrugBank Accession Number
DB11969
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 429.25
Monoisotopic: 428.0618375
Chemical Formula
C18H16Cl2F2N4O2
Synonyms
  • Uprosertib
External IDs
  • GSK-2141795C
  • GSK2141795
  • GSK2141795C

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Uprosertib Hydrochloride50IE5H22B21047635-80-2LAPFKCIDRPWAFU-PPHPATTJSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZXM835LQ5E
CAS number
1047634-65-0
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

References

General References
Not Available
PubChem Compound
51042438
PubChem Substance
347828293
ChemSpider
32701836
BindingDB
50170284
ChEMBL
CHEMBL3137336
ZINC
ZINC000043197676

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCarcinoma Breast Stage IV / Estrogen Receptor Negative / HER2/Neu Negative / Invasive Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Triple Negative Breast Carcinoma1
2CompletedTreatmentMelanoma1
2CompletedTreatmentRecurrent Plasma Cell Myeloma / Refractory Plasma Cell Myeloma1
2CompletedTreatmentRecurrent Uveal Melanoma / Stage IV Uveal Melanoma AJCC v71
2TerminatedTreatmentCervical Cancer1
2TerminatedTreatmentRecurrent Acute Myeloid Leukemia, Adult / Untreated Adult Acute Myeloid Leukemia1
1CompletedTreatmentEndometrial Adenocarcinomas / Endometrial Clear Cell Adenocarcinoma / Endometrial Mixed Cell Adenocarcinoma / Endometrial Serous Adenocarcinoma / Endometrial Undifferentiated Carcinoma / Recurrent Uterine Corpus Cancer1
1CompletedTreatmentMalignancies2
1CompletedTreatmentSolid Tumors1
1, 2Active Not RecruitingTreatmentHematopoietic and Lymphoid Cell Neoplasm / Locally Advanced Malignant Solid Neoplasm / Locally Advanced Melanoma / Metastatic Malignant Solid Neoplasm / Metastatic Melanoma / Stage IIIC Cutaneous Melanoma AJCC v7 / Stage IV Cutaneous Melanoma AJCC v6 and v7 / Unresectable Malignant Solid Neoplasm / Unresectable Melanoma1

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

Drug created at October 20, 2016 21:06 / Updated at February 21, 2021 18:53