MK-2206

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4HA45S22ZZ

Structure
InChI Key ULDXWLCXEDXJGE-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase AKT inhibitor
Primary Target
AKT serine/threonine kinase 1
AKT serine/threonine kinase 2
AKT serine/threonine kinase 3
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 5-10000 11-69 - -
Enzyme Lyase
- - 1069 - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 6.67-12.46

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Neoplasms 2 D008113 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Nasopharyngeal Neoplasms 2 D009303 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Bile Duct Neoplasms 2 D001650 ClinicalTrials
Bile Duct Neoplasms 2 D001650 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Adenocarcinoma, Bronchiolo-Alveolar 2 D002282 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Carcinoma, Large Cell 2 D018287 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Breast Neoplasms, Male 1 D018567 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Leukemia, Lymphoid 1 D007945 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 67271
ChEMBL CHEMBL1079175
DrugBank DB16828
EPA CompTox DTXSID3048948
FDA SRS 4HA45S22ZZ
Guide to Pharmacology 7945
PubChem 24964624
SureChEMBL SCHEMBL530721
ZINC ZINC000036382821
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