CHEMBL382135


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O
InChIKey CBNXOSCGWXMGTB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 429.1

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 pKd 7.36 7.36 7.36 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.42 8.42 8.42 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.1 8.13 8.17 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.3 7.3 7.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.34 7.34 7.34 ChEMBL
A1 AA1R Human Adenosine A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database