CHEMBL312612


SMILES CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1
InChIKey QQEUFCBFNCEBTH-UVIULGBXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 765.1

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 Human Tachykinin A pKi 6.52 6.52 6.52 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.51 8.51 8.51 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.92 8.92 8.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database