ATL802


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C
InChIKey IKIXRBGOWUFFBN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 513.2

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
A1 AA1R Human Adenosine A pKi 6.43 6.43 6.43 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.18 6.18 6.18 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.63 8.63 8.63 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 Guide to Pharmacology
A3 AA3R Mouse Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 8.07 8.07 8.07 Guide to Pharmacology
A2A AA2AR Mouse Adenosine A pKi 5.08 5.08 5.08 Guide to Pharmacology
A1 AA1R Mouse Adenosine A pKi 5.02 5.02 5.02 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database