CHEMBL3422018


SMILES Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1
InChIKey DHRKQJQSMYHSPN-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 422.1

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 8.2 8.2 8.2 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 7.66 7.67 7.7 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.5 8.5 8.5 ChEMBL
NK2 NK2R Human Tachykinin A pKi 4.9 4.9 4.9 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.9 4.9 4.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 8.4 8.5 8.7 ChEMBL