CHEMBL3422010


SMILES Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1
InChIKey BWTVMVHFJRFVFO-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 421.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 Q2WGM0 Rhesus macaque Tachykinin A pKi 7.7 7.7 7.7 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 7.1 7.11 7.12 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.8 7.87 7.9 ChEMBL
NK2 NK2R Human Tachykinin A pKi 4.85 4.88 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 7.8 7.8 7.8 ChEMBL