CHEMBL2112866


SMILES CCCC/C=C/c1nc(NC)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@]4(COP(=O)(O)O)C[C@H]34)c2n1
InChIKey FXDYKJMOVOJLMM-AOAKFMFPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 517.1

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
P2Y1 P2RY1 Human P2Y A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 5.73 5.73 5.73 ChEMBL