CHEMBL275544


SMILES CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIKey BIAVGWDGIJKWRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 382.2

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
NK3 NK3R Human Tachykinin A pKi 8.6 8.61 8.62 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.84 6.84 6.84 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 5.0 7.67 9.0 PDSP Ki database
NK1 NK1R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database