PPADS


SMILES O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C
InChIKey PNFZSRRRZNXSMF-WUKNDPDISA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 511.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pKi 5.2 5.2 5.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y13 P2Y13 Human P2Y A pIC50 4.94 4.94 4.94 ChEMBL
P2Y1 P2RY1 Wild turkey P2Y A pIC50 4.78 4.78 4.78 ChEMBL
P2Y1 P2RY1 Human P2Y A pEC50 4.74 5.37 6.0 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.5 5.5 5.5 ChEMBL
P2Y4 P2RY4 Human P2Y A pEC50 2.0 3.5 5.0 Guide to Pharmacology
P2Y6 P2RY6 Human P2Y A pKB 4.0 4.0 4.0 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 4.9 4.9 4.9 Guide to Pharmacology