2MeSADP


SMILES CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O
InChIKey WLMZTKAZJUWXCB-KQYNXXCUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 473.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4PXZ 7XXH 7XXI

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pKd 7.3 7.3 7.3 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKi 9.2 9.2 9.2 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pKi 7.49 7.49 7.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 5.4 6.2 7.0 Guide to Pharmacology
P2Y12 P2Y12 Human P2Y A pIC50 7.5 8.55 9.6 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 9.0 9.0 9.0 Guide to Pharmacology
P2Y1 P2RY1 Rat P2Y A pEC50 7.0 7.0 7.0 ChEMBL
P2Y1 P2RY1 Wild turkey P2Y A pEC50 8.22 8.41 8.6 ChEMBL
P2Y1 P2RY1 Human P2Y A pEC50 4.76 7.51 8.9 ChEMBL
P2Y1 P2RY1 Human P2Y A pIC50 6.44 7.09 7.66 ChEMBL