afuresertib   Click here for help

GtoPdb Ligand ID: 7890

Synonyms: GSK 2110183 | GSK-2110183 | GSK2110183
Compound class: Synthetic organic
Comment: Afuresertib (GSK2110183) is an inhibitor of the AKT family of protein kinases [1] in clincal trials for cancer. Note that in previous releases we had mistakenly linked the structure of GSK2141795 characterised in the same paper (PubChem CID 57826797) that has an extra fluorine in the terminal ring (n.b. several vendors in PubChem still have this name-to-structure error)
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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 101.18
Molecular weight 426.05
XLogP 3.05
No. Lipinski's rules broken 0
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Canonical SMILES NCC(NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F
Isomeric SMILES NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F
InChI InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
9666 afuresertib
Synonyms Click here for help
GSK 2110183 | GSK-2110183 | GSK2110183
Database Links Click here for help
CAS Registry No. 1047644-62-1 (source: PubChem)
ChEMBL Ligand CHEMBL2219422
GtoPdb PubChem SID 249565581
PubChem CID 46843057
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UniChem Compound Search for chemical match using the InChIKey AFJRDFWMXUECEW-LBPRGKRZSA-N
UniChem Connectivity Search for chemical match using the InChIKey AFJRDFWMXUECEW-LBPRGKRZSA-N