CHEMBL2203706


SMILES Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey HCGIROBRNBTDFG-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 583.2

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 pKd 6.92 7.3 7.68 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.92 8.26 8.6 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.68 8.79 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database