CHEMBL3747870


SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1
InChIKey PINUUSKQWIVMRX-RYRFLMHFSA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 10
Rotatable bonds 20
Molecular weight (Da) 1048.0

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y1 P2RY1 Human P2Y A pIC50 5.2 5.2 5.2 ChEMBL
P2Y12 P2Y12 Human P2Y A pIC50 5.99 5.99 5.99 ChEMBL