[3H]SCH 58261


SMILES Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 345.1

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
A2A AA2AR Human Adenosine A pKd 8.6 8.8 9.0 Guide to Pharmacology
A1 AA1R Bovine Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.72 7.71 8.64 ChEMBL
A2A AA2AR Rat Adenosine A pKd 9.15 9.15 9.15 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.41 6.61 6.92 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.96 6.17 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.23 6.47 7.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.37 8.84 9.22 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.78 8.31 8.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pIC50 8.74 8.74 8.74 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.4 7.71 7.92 ChEMBL