CHEMBL1183068


SMILES CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21
InChIKey WKMYTGFXVZCHSZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 424.3

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
NK1 NK1R Rat Tachykinin A pKd 8.52 9.03 9.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Rat Tachykinin A pIC50 5.48 5.48 5.48 ChEMBL
NK2 NK2R Rat Tachykinin A pIC50 5.77 5.77 5.77 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 6.29 6.29 6.29 ChEMBL