SHA 68R


SMILES Fc1ccc(CNC(=O)N2CCN3[C@H](C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1
InChIKey SFRQIPRTNYHJHP-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.2

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
A3 AA3R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.61 6.61 6.61 ChEMBL