2MeSATP


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

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 9
Molecular weight (Da) 553.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4PY0

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
P2Y1 P2RY1 Human P2Y A pIC50 6.4 7.0 7.6 Guide to Pharmacology
P2Y6 P2RY6 Human P2Y A pEC50 4.0 4.0 4.0 Guide to Pharmacology
P2Y11 P2Y11 Human P2Y A pEC50 3.7 4.0 4.3 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 7.7 7.7 7.7 Guide to Pharmacology
P2Y1 P2RY1 Rat P2Y A pEC50 8.35 8.68 9.0 ChEMBL
P2Y1 P2RY1 Human P2Y A pEC50 7.47 7.47 7.47 ChEMBL
P2Y6 P2RY6 Human P2Y A pEC50 4.0 4.0 4.0 ChEMBL
P2Y11 P2Y11 Human P2Y A pEC50 4.3 4.3 4.3 ChEMBL
P2Y12 P2Y12 Rat P2Y A pEC50 8.96 8.96 8.96 ChEMBL