CHEMBL1368847


SMILES COC(=O)CSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
InChIKey ILJNNAJYEQHOGA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 314.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.97 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.4 4.4 4.4 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL