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

Ligand site mutations A1 A2A A2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.1 6.2 6.3 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.0 6.25 6.5 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.92 5.92 5.92 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKd 8.6 8.8 9.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.3 8.75 9.2 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
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
A1 AA1R Human Adenosine A pKi 6.23 6.47 7.21 ChEMBL
A1 AA1R Human Adenosine A pKi 6.54 6.54 6.54 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 9.22 9.22 9.22 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.3 5.3 5.3 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.4 7.66 7.92 ChEMBL