AZD-1656

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Synonyms
Status
Molecule Category Free-form
UNII 660M185X4D

Structure

InChI Key FJEJHJINOKKDCW-INIZCTEOSA-N
Smiles COC[C@H](C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)Nc2cnc(C)cn2)c1
InChI
InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N6O5
Molecular Weight 478.51
AlogP 2.88
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 128.66
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Hexokinase type IV activator ACTIVATOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
28-61 - 10.8 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
28-61 - 10.8 - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL3219124
DrugBank DB14810
FDA SRS 660M185X4D
Guide to Pharmacology 7701
PubChem 16039797
SureChEMBL SCHEMBL321593
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