CHEMBL4090355


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O
InChIKey MTSSGMWKEDEGAV-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 448.1

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 5.38 5.38 5.38 ChEMBL
A3 AA3R Mouse Adenosine A pKi 5.93 5.93 5.93 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database