velusetrag


SMILES O[C@@H](CN(S(=O)(=O)C)C)CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C
InChIKey HXLOHDZQBKCUCR-VTHDOGFWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 504.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 8.3 8.75 9.2 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pEC50 7.9 7.9 7.9 ChEMBL