CHEMBL57993


SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIKey UITMLIVWRRGLLR-MUSODYFDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 711.2

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
NK2 NK2R Guinea pig Tachykinin A pKd 7.4 7.4 7.4 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pKi 9.05 9.05 9.05 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 8.82 8.82 8.82 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKd 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database