LUF5981


SMILES C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1
InChIKey DXBBMCIVYYJMJC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 353.2

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
A1 AA1R Human Adenosine A pKi 9.05 9.05 9.05 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.71 6.71 6.71 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.52 6.52 6.52 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.2 6.2 6.2 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 9.05 9.05 9.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A3 AA3R Human Adenosine A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 5.77 5.77 5.77 ChEMBL