CHEMBL4105164


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey DOZMWPJBLAQTHM-BQVMBELUSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 421.1

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 Human Adenosine A pKi 9.5 9.5 9.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A1 AA1R Human Adenosine A pKi 9.34 9.34 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.71 5.71 5.71 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.84 7.84 7.84 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.54 7.54 7.54 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.14 8.14 8.14 ChEMBL