CHEMBL3608741


SMILES Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1
InChIKey SZEYAOKHLPDWFZ-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 388.1

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 Rat Tachykinin A pKi 6.61 6.61 6.61 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.5 7.5 7.5 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.66 4.66 4.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.1 7.12 7.14 ChEMBL