compound 2 [PMID: 28379944]


SMILES CCCc1nc2c(cc(cc2)N(Cc2ccco2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
InChIKey SYDVEZUPFQXMSM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 621.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5UNH

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pIC50 8.17 8.17 8.17 ChEMBL