MRI-1867


SMILES Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)Cl)/N=C(\N)/C
InChIKey GZPQTZIUWCQXCF-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 513.1

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
A2B AA2BR Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.18 7.18 7.18 ChEMBL
A1 AA1R Human Adenosine A pKi 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.68 7.68 7.68 ChEMBL