MK-2206

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Synonyms
Status
Molecule Category Free-form
UNII 51HZG6MP1K
EPA CompTox DTXSID3048948

Structure

InChI Key ULDXWLCXEDXJGE-UHFFFAOYSA-N
Smiles NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H21N5O
Molecular Weight 407.48
AlogP 4.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.07
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase AKT inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 8-65 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10-22.8 - - 33

Target Conservation

Protein: Serine/threonine-protein kinase AKT
Description: RAC-alpha serine/threonine-protein kinase
Organism : Homo sapiens
P31749 ENSG00000142208
Protein: Serine/threonine-protein kinase AKT
Description: RAC-beta serine/threonine-protein kinase
Organism : Homo sapiens
P31751 ENSG00000105221
Protein: Serine/threonine-protein kinase AKT
Description: RAC-gamma serine/threonine-protein kinase
Organism : Homo sapiens
Q9Y243 ENSG00000117020

Cross References

Resources Reference
ChEBI 67271
ChEMBL CHEMBL1079175
FDA SRS 51HZG6MP1K
Guide to Pharmacology 7945
PubChem 67254077
SureChEMBL SCHEMBL530721
ZINC ZINC000036382821
CONTENTS