triple modulator 10 [PMID: 29878767]


SMILES COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)Nc1ccccc1)C)C(=O)NS(=O)(=O)c1ccccc1
InChIKey CJILPLPDEJBFHA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 568.2

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
D2 DRD2 Rat Dopamine A pKi 7.64 7.64 7.64 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database