Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 660M185X4D

Structure

InChI Key FJEJHJINOKKDCW-INIZCTEOSA-N
Smile 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

Action Mechanism of Action Reference
ACTIVATOR Hexokinase type IV activator PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
28-61 - 11 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials

Cross References

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