CHEMBL4554295


SMILES O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O
InChIKey KVDBXTJKVCKWRR-UZXPACTOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 417.2

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 8.98 8.98 8.98 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.03 6.03 6.03 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.17 5.17 5.17 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.49 7.49 7.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database