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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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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UniChem Compound Search for chemical match using the InChIKey AXTAPYRUEKNRBA-JTQLQIEISA-N
UniChem Connectivity Search for chemical match using the InChIKey AXTAPYRUEKNRBA-JTQLQIEISA-N