PSB603


SMILES CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl
InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 528.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKd 9.395 9.39 9.39 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 9.26 9.26 9.26 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKd 9.475 9.47 9.47 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKd 9.46 9.46 9.46 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.89 9.07 9.26 ChEMBL
A2B AA2BR Human Adenosine A pKd 9.19 9.29 9.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.26 9.26 9.26 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.26 9.26 9.26 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.74 8.77 9.27 ChEMBL