PSB-10


SMILES CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C
InChIKey YYDHUJWLNPIBDS-MRVPVSSYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 397.0

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 5.22 5.22 5.22 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.52 4.52 4.52 ChEMBL
A3 AA3R Human Adenosine A pKi 8.02 9.02 9.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A1 AA1R Human Adenosine A pKi 5.77 5.77 5.77 ChEMBL
A1 AA1R Human Adenosine A pKi 5.77 5.77 5.77 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.57 5.57 5.57 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 9.36 9.36 9.36 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.09 6.09 6.09 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 5.68 5.68 5.68 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.22 5.22 5.22 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.4 8.4 8.4 ChEMBL