CHEMBL3937015


SMILES O[C@H]1CC[C@H](Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1
InChIKey ZQDPBVRIRZFYKQ-YHBQERECSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 395.2

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
A2A AA2AR Human Adenosine A pKi 5.86 5.86 5.86 ChEMBL
A1 AA1R Human Adenosine A pKi 8.11 8.11 8.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.0 6.0 6.0 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.78 6.78 6.78 ChEMBL