Structure

InChI Key AYJRTVVIBJSSKN-UHFFFAOYSA-N
Smiles CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1
InChI
InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N4O4S
Molecular Weight 456.57
AlogP 3.95
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 7.0
Polar Surface Area 98.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucose-dependent insulinotropic receptor agonist AGONIST PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3.4 - - - -

Target Conservation

Protein: Glucose-dependent insulinotropic receptor

Description: Glucose-dependent insulinotropic receptor

Organism : Homo sapiens

Q8TDV5 ENSG00000147262

Cross References

Resources Reference
ChEMBL CHEMBL3187503
DrugBank DB12627
FDA SRS R1J57STA6O
PubChem 24996872
SureChEMBL SCHEMBL387238
ZINC ZINC000068208690