CHEMBL567849


SMILES CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIKey JMEKLKBPAWJBOV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 589.2

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 Guinea pig Tachykinin A pKd 7.83 7.83 7.83 ChEMBL
NK3 NK3R Guinea pig Tachykinin A pKi 8.46 8.52 8.57 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.51 8.51 8.51 ChEMBL
NK3 NK3R Human Tachykinin A pKd 8.11 8.11 8.11 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.29 6.29 6.29 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database