SCH442416


SMILES COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1
InChIKey AEULVFLPCJOBCE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 389.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 9.3 9.3 9.3 ChEMBL
A2A AA2AR Rat Adenosine A pKd 10.32 10.32 10.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.96 9.04 10.32 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.33 8.52 8.71 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 6.77 8.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.4 9.35 10.3 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.74 5.74 5.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database