CHEMBL2181976


SMILES Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1
InChIKey YDXZLBYHXZOWOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 386.1

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
A2B AA2BR Mouse Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A2A AA2AR Mouse Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A1 AA1R Mouse Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A2B AA2BR Rat Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.07 8.44 8.8 ChEMBL
A3 AA3R Rat Adenosine A pKd 8.55 8.55 8.55 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.94 5.94 5.94 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
A3 AA3R Human Adenosine A pKi 8.78 9.11 9.44 ChEMBL
A3 AA3R Human Adenosine A pKd 9.26 9.26 9.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.43 5.43 5.43 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A3 AA3R Mouse Adenosine A pKd 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database