CHEMBL4086593


SMILES CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O
InChIKey VVAIUXGEZUTKDN-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 476.1

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 6.5 6.5 6.5 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.22 6.22 6.22 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
A1 AA1R Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database