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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
ChEMBL Ligand CHEMBL1079175
GtoPdb PubChem SID 249565628
PubChem CID 24964624
Search Google for chemical match using the InChIKey ULDXWLCXEDXJGE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ULDXWLCXEDXJGE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ULDXWLCXEDXJGE-UHFFFAOYSA-N