General Information of the Compound
Compound ID
CP0064394
Compound Name
GSK2141795
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Synonyms
1047634-65-0
2-Furancarboxamide, N-[(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-;2-Furancarboxamide, N-[(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-
AXTAPYRUEKNRBA-JTQLQIEISA-N
CHEMBL3137336
GSK-2141795
GSK2141795
GSK2141795C
GSK795
GTPL7902
MolPort-044-560-307
SCHEMBL168584
UNII-ZXM835LQ5E
Uprosertib
Uprosertib (GSK2141795)
Uprosertib (USAN/INN)
Uprosertib [USAN:INN]
Uprosertib, GSK2141795
ZXM835LQ5E
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Structure
Formula
C18H16Cl2F2N4O2
Molecular Weight
429.254
Canonical SMILES
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1
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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
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InChIKey
AXTAPYRUEKNRBA-JTQLQIEISA-N
CAS
1047634-65-0
Physicochemical Property
logP
3.5649
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
86.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 51042438
SID: 117703080
ChEMBL ID
CHEMBL3137336
DrugBank ID
DB11969
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1.995 nM
   TI
   LI
   LO
   TS
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15.85 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
Clinical Information about the Compound
Drug 1 ( GSK2141795 )
Drug Name GSK2141795
Company GlaxoSmithKline
Indication
Lymphoma
Phase 2
Colorectal cancer
Phase 2
Target(s)
RAC-gamma serine/threonine-protein kinase (AKT3)
Modulator