CHEMBL93556


SMILES COc1ccc(C2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC
InChIKey IPQSEKMUUNQIQD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 14
Molecular weight (Da) 764.4

Drug properties

Molecular type Small molecule
Endogenous/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
NK1 NK1R Guinea pig Tachykinin A pIC50 7.51 7.82 8.13 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.51 7.07 8.19 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 7.51 7.51 7.51 ChEMBL