CHEMBL4114280


SMILES Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1
InChIKey DMCGPNZWXATPEH-MRVPVSSYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 392.1

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 7.62 7.62 7.62 ChEMBL
NK2 NK2R Human Tachykinin A pKi 4.6 4.6 4.6 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.66 4.66 4.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.52 7.52 7.52 ChEMBL