CHEMBL4092411


SMILES CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)OC)[C@@H](O)[C@H]1O
InChIKey QHRWVXZCSCFZGP-QDEZUTFSSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 449.1

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 Mouse Adenosine A pKi 7.47 7.47 7.47 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.49 5.49 5.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database