Ligand Data

Ligand

id 111419
Name CHEMBL3261372
SMILES O=c1[nH]/c(=N\OCCCc2ccsc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey SGLXVPVUSHCSPV-NMFUWQPSSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 14
Hydrogen bond donors 7
Rotatable bonds 13
Molecular weight 623.0


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
P2Y4 P2RY4 Human P2Y A (Rhodopsin) 20.0 20.0 20.0
P2Y6 P2RY6 Human P2Y A (Rhodopsin) 164 164 164
P2Y2 P2RY2 Human P2Y A (Rhodopsin) 103 103 103