hGCGR antagonist   Click here for help

GtoPdb Ligand ID: 1148

Synonyms: acylated aminothiophene nitrile | glucagon receptor antagonist I
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 81.13
Molecular weight 346.21
XLogP 5.39
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC
Isomeric SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC
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)
InChI Key SWIBDWBSJSJQHL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
Synonyms Click here for help
acylated aminothiophene nitrile | glucagon receptor antagonist I
Database Links Click here for help
BindingDB Ligand 50161494
CAS Registry No. 438618-32-7 (source: Scifinder)
ChEMBL Ligand CHEMBL179281
GtoPdb PubChem SID 135650674
PubChem CID 619101
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UniChem Compound Search for chemical match using the InChIKey SWIBDWBSJSJQHL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SWIBDWBSJSJQHL-UHFFFAOYSA-N