RWJ-67657


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


InChI Key	QSUSKMBNZQHHPA-UHFFFAOYSA-N
Smiles	OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1
InChI	InChI=1S/C27H24FN3O/c28-24-13-11-22(12-14-24)26-27(23-15-17-29-18-16-23)31(25(30-26)10-4-5-20-32)19-6-9-21-7-2-1-3-8-21/h1-3,7-8,11-18,32H,5-6,9,19-20H2

Mechanism of Action	Action	Reference
MAP kinase p38 alpha inhibitor	INHIBITOR	PubMed


Protein: MAP kinase p38 beta Description: Mitogen-activated protein kinase 11 Organism : Homo sapiens Q15759 ENSG00000185386











Protein: MAP kinase p38 alpha Description: Mitogen-activated protein kinase 14 Organism : Homo sapiens Q16539 ENSG00000112062

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily	-	200	-	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK1	-	200	-	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily	-	1000	-	-	-

Assay Description	Organism	Bioactivity
Inhibition of TNF-alpha production in rat joint after oral administration at 3 mg/Kg	Rattus norvegicus	50.0 %
Antiprotozoal activity against 5 MOI Toxoplasma gondii Me49 tachyzoites infected in confluent HFF assessed as inhibition of [3H]uracil incorporation into tachyzoites treated 4 hrs after infection measured after overnight incubation post uracil addition by liquid scintillation counting	Toxoplasma gondii ME49	800.0 nM
Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli	Toxoplasma gondii	200.0 nM
Inhibition of sodium arsenate activated N-terminal GST-tagged Brugia malayi MPK1 expressed in HEK293F cells using FAM-p38tide as substrate by IMAP assay	Brugia malayi	120.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	7.96 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	5.673 %
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	-0.28 %	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	-0.28 %

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