CHEMBL3422009


SMILES C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1
InChIKey ZSIQAOCNFRWDNJ-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 519.1

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 Q2WGM0 Rhesus macaque Tachykinin A pKi 8.4 8.4 8.4 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 7.89 7.89 7.9 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.7 8.7 8.7 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.1 6.1 6.1 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.7 7.7 7.7 ChEMBL