CENICRIVIROC


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	PNDKCRDVVKJPKG-WHERJAGFSA-N
Smiles	CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1
InChI	InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1

Mechanism of Action	Action	Reference
C-C chemokine receptor type 2 antagonist	ANTAGONIST	PubMed PubMed PubMed


Protein: C-C chemokine receptor type 2 Description: C-C chemokine receptor type 2 Organism : Homo sapiens P41597 ENSG00000121807









Protein: C-C chemokine receptor type 5 Description: C-C chemokine receptor type 5 Organism : Homo sapiens P51681 ENSG00000160791

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor	-	6-6	-	-	-

Assay Description	Organism	Bioactivity
Antagonist activity at CCR5 assessed as inhibition of CCL3 binding	None	3.0 nM
Antagonist activity at CCR2 assessed as inhibition of CCL2 binding	None	5.9 nM
Antiviral activity against Human immunodeficiency virus 1 clinical isolate	Human immunodeficiency virus 1	0.061 nM
Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hr	Mus musculus	0.25 nM
Inhibition of CCR2 (unknown origin)	Homo sapiens	5.9 nM
Inhibition of CCR7 (unknown origin)	Homo sapiens	3.1 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-3.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	7.74 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	7.74 %

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