CHEMBL4471712


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc21
InChIKey BJGMUJOSNVRDQV-GHVWTTSJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 403.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Mouse Adenosine A pKi 6.42 6.42 6.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.16 5.16 5.16 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.54 5.54 5.54 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.08 5.08 5.08 ChEMBL
A3 AA3R Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A1 AA1R Human Adenosine A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database