CHEMBL99744


SMILES CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1CC
InChIKey NNADEQPEAWEFMV-WYMLVPIESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 267.1

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
A2A AA2AR Rat Adenosine A pKi 5.02 5.06 5.1 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.12 5.12 5.12 ChEMBL
A3 AA3R Human Adenosine A pKi 4.87 4.87 4.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database