ML398


SMILES Clc1ccc(cc1)CN1CCO[C@@H](C1)CCc1ccccc1
InChIKey CVKXGRRJHJHUFY-LJQANCHMSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 315.1

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 Human Adenosine A pKi 7.94 7.94 7.94 ChEMBL
A1 AA1R Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database