CHEMBL3612940


SMILES CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12
InChIKey DTTFXWQRYRYGNI-RQEHDQILSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 471.1

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
A3 AA3R Dog Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.79 7.79 7.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 ChEMBL
A3 AA3R Human Adenosine A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 8.82 8.82 8.82 ChEMBL