CP-96345


SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
InChIKey FLNYLINBEZROPL-NSOVKSMOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 412.3

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 Rat Tachykinin A pKd 5.6 5.6 5.6 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 4.3 4.3 4.3 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.51 9.11 9.52 ChEMBL
NK1 NK1R Human Tachykinin A pKd 7.78 8.56 9.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Mouse Tachykinin A pIC50 7.62 7.62 7.62 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pIC50 9.25 9.32 9.4 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 4.09 8.78 9.7 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 7.5 7.5 7.5 ChEMBL