CHEMBL330366


SMILES COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey WZMVQZJKOVPVGZ-XIFFEERXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 639.2

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 6.7 6.7 6.7 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.0 9.0 9.0 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Mouse Tachykinin A pIC50 8.08 8.08 8.08 ChEMBL
NK3 NK3R Guinea pig Tachykinin A pIC50 7.68 7.68 7.68 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pIC50 8.51 8.51 8.51 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 8.08 8.09 8.1 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.51 8.52 8.52 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.0 6.76 8.52 ChEMBL