CP 99994


SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIKey DTQNEFOKTXXQKV-HKUYNNGSSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 296.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6HLL

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 9.3 9.5 9.7 Guide to Pharmacology
NK1 NK1R Human Tachykinin A pKi 8.82 9.42 9.77 ChEMBL
NK1 NK1R Human Tachykinin A pKd 8.9 8.9 8.9 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKd 9.49 9.49 9.49 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 9.57 9.67 9.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.0 9.37 9.77 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pIC50 8.54 8.54 8.54 ChEMBL