CHEMBL339051


SMILES CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1
InChIKey OJNYEFLQZAKWEW-AREMUKBSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 677.3

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 8.03 8.03 8.03 ChEMBL
NK2 NK2R Human Tachykinin A pKi 7.46 7.46 7.46 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.57 9.57 9.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database