CHEMBL3422017


SMILES Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1
InChIKey MPIGZKVWBCATSN-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 406.1

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 7.6 7.6 7.6 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 6.9 6.92 6.94 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.54 7.57 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.48 7.54 7.6 ChEMBL