CHEMBL4468006


SMILES OC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey WRZNTZAVIFSIPG-XKLVTHTNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 423.2

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 9.19 9.19 9.19 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.18 6.18 6.18 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
A3 AA3R Human Adenosine A pKi 4.88 4.88 4.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.59 5.59 5.59 ChEMBL
A1 AA1R Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database