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
CCR5 CCR5 Human Chemokine A pKi 8.15 8.57 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database