Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7E99B9ZM19

Structure

InChI Key MASKQITXHVYVFL-UHFFFAOYSA-N
Smile Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1
InChI
InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20N6O4
Molecular Weight 432.44
AlogP 3.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 123.34
Molecular species NEUTRAL
Aromatic Rings 4.0
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
174-1090 - 189 - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 0

Indications

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

Cross References

Resources Reference
CAS NUMBER 1245603-92-2
ChEMBL CHEMBL2165615
DrugBank DB15009
FDA SRS 7E99B9ZM19
PDB S41
PubChem 46916694
SureChEMBL SCHEMBL1720691
ZINC ZINC000068246554