PSB-0788


SMILES CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl
InChIKey JQZJACVYMPKVDS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 542.2

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
A2A AA2AR Rat Adenosine A pKi 5.76 5.76 5.76 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.41 9.41 9.41 ChEMBL
A1 AA1R Human Adenosine A pKi 5.65 5.65 5.65 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.65 5.65 5.65 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.41 9.41 9.41 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.4 9.4 9.4 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.44 8.44 8.44 ChEMBL