DNK333


SMILES CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1
InChIKey BHCJHYIMNHXLOM-WVDRJWPYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 623.1

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
NK2 NK2R Human Tachykinin A pKi 8.02 8.02 8.02 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.38 8.38 8.38 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pKd 7.27 7.27 7.27 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKd 7.93 7.93 7.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 8.26 8.26 8.26 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.32 8.32 8.32 ChEMBL