PSB1115


SMILES CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O
InChIKey UYDRRQPGDSIMNU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 350.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.27 7.27 7.27 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 5.66 5.66 5.66 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 4.62 4.62 4.62 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A1 AA1R Mouse Adenosine A pKi 6.23 6.23 6.23 ChEMBL
A2B AA2BR Rat Adenosine A pKi 5.5 5.5 5.5 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.62 4.68 4.93 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.66 5.7 5.91 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.62 7.12 7.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL