CHEMBL4108623


SMILES CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1
InChIKey DOEVSBYTUDFXBA-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 420.1

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 NK3R Human Tachykinin A pKi 8.15 8.15 8.15 ChEMBL
NK2 NK2R Human Tachykinin A pKi 4.5 4.5 4.5 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.4 4.4 4.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 8.3 8.3 8.3 ChEMBL