BN 50739


SMILES COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl
InChIKey MRVWRDZEYURFSW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 595.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pKi 9.0 9.0 9.0 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pKi 8.08 8.08 8.08 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database