RP67580


SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1
InChIKey VWBOQFANCXZMAU-LOSJGSFVSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 438.2

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 Guinea pig Tachykinin A pKd 7.2 7.2 7.2 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 7.7 7.7 7.7 Guide to Pharmacology
NK1 NK1R Mouse Tachykinin A pIC50 8.06 8.06 8.06 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pIC50 7.5 7.5 7.5 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 7.31 7.41 7.52 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 5.38 7.22 8.17 ChEMBL