MRS2690


SMILES OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O
InChIKey TYVFMVSNSGMZPA-QBNUFUENSA-L

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 11
Molecular weight (Da) 626.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

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
CCR2 CCR2 Human Chemokine A pIC50 6.3 6.3 6.3 Guide to Pharmacology
TSH TSHR Human Glycoprotein hormone A Potency 6.0 6.0 6.0 ChEMBL