MK-0941

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YZ1L3KR377

Structure
InChI Key KJSGTWFWVTYPFZ-AWEZNQCLSA-N
Smile CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1
InChI
InChI=1S/C21H24N4O6S/c1-4-32(28,29)20-6-5-16(12-22-20)31-18-10-15(9-17(11-18)30-14(2)13-26)21(27)23-19-7-8-25(3)24-19/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28N4O9S2
Molecular Weight 556.62
AlogP 2.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 132.64
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Hexokinase type IV activator PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
10 - 3 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3580737
FDA SRS YZ1L3KR377
PubChem 25235800
SureChEMBL SCHEMBL2883693
ChEMBL CHEMBL4297302
FDA SRS 83OY2D8970
PubChem 25235800
SureChEMBL SCHEMBL2889404
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