CHEMBL4584140


SMILES O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O
InChIKey XYKICRBHOLYQGR-HCCBAUPYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 543.2

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 5.6 5.6 5.6 ChEMBL
A3 AA3R Mouse Adenosine A pKi 5.13 5.13 5.13 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
A3 AA3R Human Adenosine A pKi 5.01 5.01 5.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database