Chembl4562453

Chemical Properties

SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccoc3)c2C#N)c1
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight 390.1

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey UFSPCMWZWAAVAI-UHFFFAOYSA-N

Database Connections

External Links


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.36 8.36 8.36 ChEMBL
A1 AA1R Human Adenosine A pKi 8.68 8.68 8.68 ChEMBL