PF-04937319

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Synonyms
Status
Molecule Category Free-form
UNII 7E99B9ZM19

Structure

InChI Key MASKQITXHVYVFL-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Hexokinase type IV activator ACTIVATOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
174-930 - 189.2 - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
174-930 - 189.2 - 0
Rattus norvegicus
407-900 - - - -

Target Conservation

Protein: Hexokinase type IV
Description: Hexokinase-4
Organism : Homo sapiens
P35557 ENSG00000106633

Cross References

Resources Reference
ChEMBL CHEMBL2165615
DrugBank DB15009
FDA SRS 7E99B9ZM19
PDB S41
PubChem 46916694
SureChEMBL SCHEMBL1720691
ZINC ZINC000068246554
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