CHEMBL4483546


SMILES COc1cc(CCNc2nc(C#Cc3ccc(Br)s3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O
InChIKey AAXCBTOWLIXBEE-ZIEHKDSXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 581.1

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 Mouse Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A3 AA3R Human Adenosine A pKi 8.49 8.49 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.16 6.16 6.16 ChEMBL