AS94


SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C
InChIKey ZGYHEWXZOUTFGG-PYCFMQQDSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 537.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 5.3 5.3 5.3 Guide to Pharmacology
A3 AA3R Human Adenosine A pKd 7.8 7.8 7.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 6.4 6.4 6.4 ChEMBL