Details of the Drug

General Information of Drug (ID: DMOIPYD)

Drug Name
hGCGR antagonist
Synonyms acylated aminothiophene nitrile; glucagon receptor antagonist I
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 346.5
Logarithm of the Partition Coefficient (xlogp) 6.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H30N2OS
IUPAC Name
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
Canonical SMILES
CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N
InChI
InChI=1S/C20H30N2OS/c1-6-13(7-2)18(23)22-19-16(12-21)15-10-9-14(11-17(15)24-19)20(4,5)8-3/h13-14H,6-11H2,1-5H3,(H,22,23)
InChIKey
SWIBDWBSJSJQHL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
619101
CAS Number
438618-32-7
TTD ID
D08XLL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucagon receptor (GCGR) TT9O6WS GLR_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glucagon receptor (GCGR) DTT GCGR 7.24E-02 -0.52 -0.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1148).
2 A novel glucagon receptor antagonist inhibits glucagon-mediated biological effects. Diabetes. 2004 Dec;53(12):3267-73.