CHEMBL2012686


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21
InChIKey XJBGUZYJXHUHPS-HLXQIYJLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 375.1

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
A1 AA1R Mouse Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A3 AA3R Mouse Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.1 9.1 9.1 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.17 6.18 6.19 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.73 5.73 5.73 ChEMBL
A3 AA3R Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A1 AA1R Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 8.18 8.18 8.18 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.86 5.86 5.86 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.39 7.39 7.39 ChEMBL