Uprosertib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ARAC-gamma serine/threonine-protein kinase modulatorHumans - 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Uprosertib Hydrochloride 50IE5H22B2 1047635-80-2 LAPFKCIDRPWAFU-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
- External Links
- PubChem Compound
- 51042438
- PubChem Substance
- 347828293
- ChemSpider
- 32701836
- BindingDB
- 50170284
- ChEMBL
- CHEMBL3137336
- ZINC
- ZINC000043197676
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Carcinoma Breast Stage IV / Estrogen Receptor Negative / HER2 negative / Invasive Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Triple Negative Breast Carcinoma 1 somestatus stop reason just information to hide 2 Completed Treatment Melanoma 1 somestatus stop reason just information to hide 2 Completed Treatment Recurrent Plasma Cell Myeloma / Refractory Plasma Cell Myeloma 1 somestatus stop reason just information to hide 2 Completed Treatment Stage IV Uveal Melanoma AJCC v7 / Uveal Melanoma, Recurrent 1 somestatus stop reason just information to hide 2 Terminated Treatment Cervical Cancer 1 somestatus stop reason just information to hide
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 0.0351 mg/mL ALOGPS logP 3.26 ALOGPS logP 2.59 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 14.04 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 86.08 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 113.37 m3·mol-1 Chemaxon Polarizability 39.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-241bd9aa1e66d2f3882a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000200000-0df7eb1640fafd440c13 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-607383ba6dbb0527d2ea Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ikc-0504900000-d57f415bb73c8f82b3bc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-57164a0c4576a05a527d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fc0-0749100000-78d3ae20f4bd3c09355d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 188.29958 predictedDeepCCS 1.0 (2019) [M+H]+ 190.65758 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.10216 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- AKT3 is one of 3 closely related serine/threonine-protein kinases (AKT1, AKT2 and AKT3) called the AKT kinase, and which regulate many processes including metabolism, proliferation, cell survival, growth and angiogenesis. This is mediated through serine and/or threonine phosphorylation of a range of downstream substrates. Over 100 substrate candidates have been reported so far, but for most of them, no isoform specificity has been reported. AKT3 is the least studied AKT isoform. It plays an important role in brain development and is crucial for the viability of malignant glioma cells. AKT3 isoform may also be the key molecule in up-regulation and down-regulation of MMP13 via IL13. Required for the coordination of mitochondrial biogenesis with growth factor-induced increases in cellular energy demands. Down-regulation by RNA interference reduces the expression of the phosphorylated form of BAD, resulting in the induction of caspase-dependent apoptosis
- Specific Function
- ATP binding
- Gene Name
- AKT3
- Uniprot ID
- Q9Y243
- Uniprot Name
- RAC-gamma serine/threonine-protein kinase
- Molecular Weight
- 55774.1 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:06 / Updated at August 27, 2024 19:15