CHEMBL3422015


SMILES CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1
InChIKey GYGRAOHPQAELJF-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 433.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.2 8.2 8.2 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 7.5 7.5 7.5 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.5 8.51 8.52 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.0 5.0 5.0 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.1 5.1 5.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 8.4 8.55 8.7 ChEMBL