PSB36


SMILES OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3
InChIKey CIBIXJYFYPFMTN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 386.2

Drug properties

Molecular type Small molecule
Physiological/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 Human Adenosine A pKi 6.01 6.01 6.01 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.73 6.73 6.73 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.64 5.64 5.64 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 9.9 9.9 9.9 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.19 5.19 5.19 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.26 6.26 6.26 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.19 5.19 5.19 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.91 9.91 9.91 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.73 6.73 6.73 ChEMBL
A3 AA3R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.61 8.61 8.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
A1 AA1R Human Adenosine A pKd 9.19 9.19 9.19 ChEMBL
A1 AA1R Human Adenosine A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database