osanetant


SMILES O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1
InChIKey DZOJBGLFWINFBF-UMSFTDKQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 605.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 6.0 6.3 6.6 Guide to Pharmacology
NK2 NK2R Human Tachykinin A pKi 7.3 7.55 7.8 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 8.4 9.05 9.7 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKd 9.9 9.9 9.9 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pKi 9.96 9.96 9.96 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pKd 8.5 9.47 10.1 ChEMBL
NK3 NK3R Guinea pig Tachykinin A pKi 9.1 9.16 9.22 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 7.24 7.26 7.3 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.97 8.94 9.7 ChEMBL
NK3 NK3R Human Tachykinin A pKd 7.53 8.75 10.1 ChEMBL
NK2 NK2R Human Tachykinin A pKi 7.07 7.25 7.45 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.89 6.34 6.68 ChEMBL
NK2 NK2R Rat Tachykinin A pKi 9.29 9.29 9.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 5.6 5.6 5.6 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pIC50 7.9 7.95 8.0 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pIC50 6.5 6.5 6.5 ChEMBL
NK3 NK3R Human Tachykinin A pIC50 9.1 9.39 9.68 ChEMBL