MRS1186


SMILES CCC(=O)Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl
InChIKey SPZIDRYLSXDAEF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 341.1

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 6.97 6.97 6.97 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A3 AA3R Human Adenosine A pKi 8.11 8.11 8.12 ChEMBL
A3 AA3R Human Adenosine A pKi 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database