MBX-2982

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Synonyms
Status
Molecule Category Free-form
UNII B5TRY67L51
EPA CompTox DTXSID20146055

Structure

InChI Key NFTMKHWBOINJGM-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 7.0
Polar Surface Area 94.74
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucose-dependent insulinotropic receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 10.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR)
3.9-87 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3.9-87 - - - 10.5

Target Conservation

Protein: Glucose-dependent insulinotropic receptor
Description: Glucose-dependent insulinotropic receptor
Organism : Homo sapiens
Q8TDV5 ENSG00000147262

Cross References

Resources Reference
ChEMBL CHEMBL3260505
DrugBank DB12345
FDA SRS B5TRY67L51
Guide to Pharmacology 10166
PubChem 25025505
SureChEMBL SCHEMBL1118326
ZINC ZINC000073069252
CONTENTS