CHEMBL339767


SMILES CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1
InChIKey JYCLPXSCZKCIMO-YEFUCVGBSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 568.2

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
NK3 NK3R Human Tachykinin A pKi 5.04 5.04 5.04 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.04 9.04 9.04 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database