Compound Detail

CHEMBL300982

LICOFELONE

🧪 Phase II

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

🧪 Phase II

CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL300982
Name	LICOFELONE
Phase	Phase II
Structure Type	MOL
InChI Key	UAWXGRJVZSAUSZ-UHFFFAOYSA-N

Known Names

Licofelona Licofelone Ml 3000 ML-3000

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

379.9

MW (Da)

5.68

ALogP

HBA

HBD

42.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C23H22ClNO2
MW	379.89
Aromatic Rings	3
Heavy Atoms	27
NP-Likeness	-0.15

Activity Summary

IC50 47 meas. best 6.82

EC50 2 meas. best 7.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin E synthase CHEMBL5658	EC50	7.0	7.0	100.0	1
Prostaglandin G/H synthase 1 CHEMBL2860	IC50	6.82	6.76	150.0	2
Cyclooxygenase CHEMBL2094253	IC50	6.8	6.8	160.0	1
Prostaglandin G/H synthase 1 CHEMBL221	IC50	6.8	6.1475	160.0	4
Prostaglandin G/H synthase 1 CHEMBL2949	IC50	6.8	6.5267	160.0	3
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	6.75	6.5943	180.0	7
Unchecked CHEMBL612545	IC50	6.75	6.4343	180.0	7
Arachidonate 5-lipoxygenase CHEMBL2980	IC50	6.75	6.435	180.0	2
Cyclooxygenase CHEMBL2096674	IC50	6.68	6.68	210.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	6.43	6.135	370.0	4
Arachidonate 5-lipoxygenase-activating protein CHEMBL4550	IC50	5.77	5.77	1700.0	1
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312	IC50	5.44	5.44	3600.0	1
Prostaglandin E synthase CHEMBL5658	IC50	5.41	5.248	3900.0	5
MDA-MB-231 CHEMBL400	IC50	5.26	5.26	5500.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.73	4.4325	18500.0	4
HT-29 CHEMBL384	IC50	4.68	4.425	21100.0	2
MCF7 CHEMBL387	IC50	4.43	4.43	36700.0	1
SW480 CHEMBL612544	IC50	4.17	4.17	68000.0	1
SARS-CoV-2 CHEMBL4303835	EC50	4.06	4.06	87500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin E synthase	EC50	=	100.0	nM	7.0	Inhibition of mPGES1 in human A549 cells assessed as reduction in PGE2 productio...	27597418
Prostaglandin G/H synthase 1	IC50	=	150.0	nM	6.82	Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-ind...	22749420
Cyclooxygenase	IC50	=	160.0	nM	6.8	Inhibition of human Prostaglandin G/H synthase in human cells	8021931
Prostaglandin G/H synthase 1	IC50	=	160.0	nM	6.8	Inhibitory concentration against prostaglandin G/H synthase 1	16220969
Prostaglandin G/H synthase 1	IC50	=	160.0	nM	6.8	Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid s...	28669741
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of 5-lipoxygenase in bovine polymorphonuclear leucocytes assessed as ...	19719242
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of potato tuber 5LOX by polarographic method	20045317
Arachidonate 5-lipoxygenase	IC50	=	180.0	nM	6.75	Inhibition of 5-lipoxygenase in bovine PMNL cell assay.	8021931
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of bovine 5LOX	17976864
Unchecked	IC50	=	180.0	nM	6.75	Inhibition of soybean LOX using arachidonic acid as substrate incubated for 5 mi...	34137625
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	180.0	nM	6.75	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incu...	22380511
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	180.0	nM	6.75	Inhibition of 5-LOX (unknown origin) by ELISA	24295787
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	180.0	nM	6.75	Inhibition of 5-LOX (unknown origin)	26994693
Unchecked	IC50	=	189.0	nM	6.72	Inhibition of 5LOX in bovine polymorphonuclear leucocytes assessed as leukotrien...	19097798
Prostaglandin G/H synthase 1	IC50	=	200.0	nM	6.7	Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptad...	19097798
Cyclooxygenase	IC50	=	210.0	nM	6.68	Inhibition of Prostaglandin G/H synthase in bovine thrombocyte intact cell assay...	8021931
Prostaglandin G/H synthase 1	IC50	=	210.0	nM	6.68	Inhibition of COX1 (unknown origin)	26994693
Prostaglandin G/H synthase 1	IC50	=	210.0	nM	6.68	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 1...	34137625
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	210.0	nM	6.68	Inhibitory concentration against arachidonate 5-lipoxygenase	16220969
Unchecked	IC50	=	210.0	nM	6.68	Inhibition of soybean lipoxygenase preincubated for 5 mins followed by linoleic ...	28669741

Literature References

PubMed	DOI	Target Context	# Activities
32940035	10.1021/acs.jmedchem.0c01541	No relevant target	15
21295381	10.1016/j.ejmech.2011.01.002	Mus musculus	7
24295787	10.1016/j.bmcl.2013.11.015	Unchecked	5
38864383	10.1021/acs.jmedchem.4c00597	Unchecked	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
24295787	10.1016/j.bmcl.2013.11.015	NON-PROTEIN TARGET	4
19719242	10.1021/jm900481c	Prostaglandin E synthase	4
27597418	10.1016/j.ejmech.2016.08.066	Prostaglandin E synthase	3
24295787	10.1016/j.bmcl.2013.11.015	HT-29	3
27597418	10.1016/j.ejmech.2016.08.066	HeLa	3
38864383	10.1021/acs.jmedchem.4c00597	No relevant target	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
27597418	10.1016/j.ejmech.2016.08.066	Polyunsaturated fatty acid 5-lipoxygenase	2
19939518	10.1016/j.ejmech.2009.10.025	Hematopoietic prostaglandin D synthase	2
27597418	10.1016/j.ejmech.2016.08.066	Prostaglandin E synthase/G/H synthase 2	2
21295381	10.1016/j.ejmech.2011.01.002	MDA-MB-231	2
22380511	10.1021/jm201497k	Prostaglandin E synthase	2
8021931	10.1021/jm00038a021	Cyclooxygenase	2

Data from ChEMBL 36 via Core Engine