uprosertib   Click here for help

GtoPdb Ligand ID: 7902

Synonyms: GSK-2141795 | GSK2141795
Compound class: Synthetic organic
Comment: Uprosertib (GSK-2141795) is an inhibitor of the AKT family of protein kinases [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 86.08
Molecular weight 428.06
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Isomeric SMILES NC[C@@H](NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
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
InChI Key AXTAPYRUEKNRBA-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
9942 uprosertib
Synonyms Click here for help
GSK-2141795 | GSK2141795
Database Links Click here for help
CAS Registry No. 1047634-65-0
ChEMBL Ligand CHEMBL3137336
GtoPdb PubChem SID 249565585
PubChem CID 51042438
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