MRS1177


SMILES Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1
InChIKey XIEBLXLGWFCYEP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 389.1

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
A1 AA1R Rat Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A3 AA3R Human Adenosine A pKi 8.52 8.52 8.52 ChEMBL
A3 AA3R Human Adenosine A pKi 8.5 8.5 8.5 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database