velusetrag


SMILES O[C@@H](CN(S(=O)(=O)C)C)CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C
InChIKey HXLOHDZQBKCUCR-VTHDOGFWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 504.2

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 8.52 8.52 8.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A1 AA1R Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.28 7.28 7.28 ChEMBL