L-732,138


SMILES CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2
InChIKey BYYQYXVAWXAYQC-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 472.1

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 5.2 5.2 5.2 ChEMBL
NK2 NK2R Rat Tachykinin A pKi 6.87 6.87 6.87 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.87 8.82 9.14 ChEMBL
NK1 NK1R Human Tachykinin A pKd 8.4 8.4 8.4 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 5.2 5.2 5.2 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 6.87 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 6.4 6.4 6.4 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 6.4 8.55 8.83 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.8 5.8 5.8 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.64 8.64 8.64 Guide to Pharmacology
NK1 NK1R Rat Tachykinin A pIC50 6.4 6.4 6.4 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 6.34 6.34 6.34 Guide to Pharmacology