cenicriviroc


SMILES CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC
InChIKey PNDKCRDVVKJPKG-DPDRHGIRSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 17
Molecular weight (Da) 696.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pKi 9.3 9.3 9.3 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 7.29 7.29 7.29 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.26 9.26 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 7.58 7.58 7.58 ChEMBL