MK-2206   Click here for help

GtoPdb Ligand ID: 7945

Synonyms: MK 2206
Compound class: Synthetic organic
Comment: MK-2206 is an orally bioavailable allosteric inhibitor of the serine/threonine protein kinase Akt (protein kinase B) with potential antineoplastic activity [2-4].
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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 3
Topological polar surface area 89.07
Molecular weight 407.17
XLogP 5.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1
Isomeric SMILES O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1
InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
InChI Key ULDXWLCXEDXJGE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
Synonyms Click here for help
MK 2206
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-2399927
Reactome Reaction Reactome logo R-HSA-2400010
Other databases
CAS Registry No. 1032350-13-2
ChEBI CHEBI:67271
ChEMBL Ligand CHEMBL1079175
GtoPdb PubChem SID 249565628
PubChem CID 24964624
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