CHEMBL2114963


SMILES COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey RWSBBXFLRGQFQP-OXCVABKISA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 672.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Guinea pig Tachykinin A pIC50 7.96 7.96 7.96 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pIC50 6.66 6.66 6.66 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pIC50 7.23 7.23 7.23 ChEMBL