CHEMBL3093327


SMILES Cn1c(=O)c2[nH]c([C@]34C[C@@H]5C[C@H](C[C@H]3C5)C4)nc2n(C)c1=O
InChIKey JNILKZBFDIKTIT-IOOBAMJDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 300.2

Drug properties

Molecular type Small molecule
Physiological/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 6.26 6.26 6.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.91 9.91 9.91 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.73 6.73 6.73 ChEMBL
A3 AA3R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
A1 AA1R Human Adenosine A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database