Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B5TRY67L51

Structure

InChI Key NFTMKHWBOINJGM-UHFFFAOYSA-N
Smile CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChI
InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N8OS
Molecular Weight 448.56
AlogP 3.43
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 94.74
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucose-dependent insulinotropic receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 2 D003920 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1037792-44-1
ChEMBL CHEMBL3260505
DrugBank DB12345
EPA CompTox DTXSID20146055
FDA SRS B5TRY67L51
Guide to Pharmacology 10166
PubChem 25025505
SureChEMBL SCHEMBL1118326
ZINC ZINC000073069252