CHEMBL603129


SMILES CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIKey VMTZCTQCFMWSEO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 352.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 5.79 5.79 5.79 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.14 7.14 7.14 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.41 6.41 6.41 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.69 6.69 6.69 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 5.5 5.5 5.5 ChEMBL