TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.359 | Formula: C19H13Cl2N3O6S2
H donors: 2 H acceptors: 7 LogP: 2.92 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1cncc(c1)C(=O)NS(=O)(=O)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C19H13Cl2N3O6S2/c20-14-1-5-16(6-2-14)31(27,28)23-18(25)12-9-13(11-22-10-12)19(26)24-32(29,30)17-7-3-15(21)4-8-17/h1-11H,(H,23,25)(H,24,26)
InChiKey: VUBPQQGAVFBONT-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0025	0.0321	0.395
Leishmania major	glucose transporter, lmgt2	0.0035	0.053	0.8107
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0034	0.0506	0.1855
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.053	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Leishmania major	protein kinase, putative	0.0035	0.0521	0.7919
Mycobacterium ulcerans	sugar transporter	0.0016	0.0122	0.2954
Onchocerca volvulus		0.0016	0.0122	0.2698
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Trypanosoma cruzi	hexose transporter, putative	0.0019	0.0192	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Leishmania major	lysyl-tRNA synthetase, putative	0.0025	0.0321	0.395
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0453	0.2068
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0014	0.008	0.0366
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0122	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Onchocerca volvulus		0.0016	0.0122	0.2698
Onchocerca volvulus		0.0032	0.0453	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0035	0.0521	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0321	0.1465
Echinococcus granulosus	solute carrier family 22	0.0016	0.0122	0.0558
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Plasmodium falciparum	protein kinase 7	0.0323	0.6585	0.6542
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.053	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0035	0.0521	0.0404
Loa Loa (eye worm)	sugar transporter	0.0114	0.2191	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Toxoplasma gondii	protein kinase, putative	0.0323	0.6585	1
Schistosoma mansoni	glucose transport protein	0.0114	0.2191	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Onchocerca volvulus		0.0016	0.0122	0.2698
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0035	0.0521	0.0404
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0035	0.0521	0.0404
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0185	0.3673	0.5579
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0626	1
Brugia malayi	major facilitator superfamily protein	0.0016	0.0122	0.0558
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0035	0.0521	0.0404
Onchocerca volvulus		0.0016	0.0122	0.2698
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.2191	1
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0122	0.0558
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.053	0.8107
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0035	0.0521	0.0792
Toxoplasma gondii	facilitative glucose transporter GT1	0.0114	0.2191	0.3327
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Onchocerca volvulus		0.0016	0.0122	0.2698
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0035	0.0521	0.0792
Echinococcus multilocularis	lysyl tRNA synthetase	0.0025	0.0321	0.1465
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0025	0.0321	0.395
Echinococcus granulosus	General substrate transporter	0.0098	0.1852	0.8455
Schistosoma mansoni	peroxidasin	0.0032	0.0453	0.2068
Plasmodium falciparum	proline--tRNA ligase	0.004	0.0626	0.051
Onchocerca volvulus		0.0016	0.0122	0.2698
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Onchocerca volvulus	Peroxidase homolog	0.0032	0.0453	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0321	1
Brugia malayi	hypothetical protein	0.0016	0.0122	0.0558
Leishmania major	glucose transporter, lmgt1	0.0035	0.053	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Echinococcus granulosus	calcium dependent protein kinase	0.0033	0.0475	0.2169
Schistosoma mansoni	glucose transport protein	0.0114	0.2191	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Onchocerca volvulus		0.0016	0.0122	0.2698
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Entamoeba histolytica	protein kinase, putative	0.0035	0.0521	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0025	0.0321	0.1465
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.053	0.1973
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.053	0.8107
Plasmodium falciparum	lysine--tRNA ligase	0.0025	0.0321	0.0201
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0122	0.0558
Schistosoma mansoni	glucose transport protein	0.0114	0.2191	1
Brugia malayi	Peroxidasin	0.0032	0.0453	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0626	1
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0122	0.0558
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.053	0.1973
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Onchocerca volvulus	Dual oxidase homolog	0.0032	0.0453	1
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0506	0.2309
Trypanosoma cruzi	hexose transporter	0.0035	0.053	0.8107
Onchocerca volvulus	Peroxidasin homolog	0.0032	0.0453	1
Leishmania major	glucose transporter, lmgt3	0.0035	0.053	0.8107
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0626	1
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0453	0.2068
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0506	0.2309
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0453	0.2068
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0506	0.2309
Schistosoma mansoni	protein kinase	0.0035	0.0521	0.2377
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0035	0.053	0.8107
Giardia lamblia	Prolyl-tRNA synthetase	0.0034	0.0506	1
Echinococcus granulosus	peroxidasin	0.0032	0.0453	0.2068
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Brugia malayi	Sugar transporter family protein	0.0114	0.2191	1
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0506	0.2309
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0122	0.0558
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0122	0.0558
Toxoplasma gondii	sugar transporter ST3	0.0016	0.0122	0.0186
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0122	0.0558
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0035	0.0521	0.7919
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0022	0.0255	0.0641
Echinococcus multilocularis	calcium dependent protein kinase	0.0033	0.0475	0.2169
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Trypanosoma brucei	glucose transporter 2A	0.0035	0.053	0.8107
Trypanosoma brucei	glucose transporter 1E	0.0035	0.053	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Echinococcus granulosus	solute carrier family 22	0.0016	0.0122	0.0558
Schistosoma mansoni	protein kinase	0.0035	0.0521	0.2377
Brugia malayi	lysyl-tRNA synthetase	0.0025	0.0321	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Plasmodium falciparum	hexose transporter	0.0114	0.2191	0.2094
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0185	0.3673	0.3595
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0114	0.2191	1
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0122	0.0558
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0035	0.0521	0.0404
Toxoplasma gondii	lysine-tRNA ligase	0.0025	0.0321	0.0488
Brugia malayi	hypothetical protein	0.0032	0.0453	0.2068
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0035	0.0521	0.2377
Trichomonas vaginalis	CAMK family protein kinase	0.0035	0.0521	0.1927
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0035	0.0521	0.0404
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0035	0.0521	0.2377
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0035	0.0521	0.2377
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0122	0.0558
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0321	0.1465
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0122	0.0558
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0321	0.1465
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0371	0.1691
Schistosoma mansoni	peroxidasin	0.0032	0.0453	0.2068
Brugia malayi	Cam kinase protein 1	0.0035	0.0521	0.2377
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0122	0.2954
Schistosoma mansoni	sugar transporter	0.0016	0.0122	0.0558
Giardia lamblia	Hexose transporter	0.0016	0.0122	0.2416
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0122	0.2954
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0035	0.0521	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Plasmodium vivax	lysine--tRNA ligase, putative	0.0025	0.0321	0.0201
Giardia lamblia	Lysyl-tRNA synthetase	0.0025	0.0321	0.6346
Onchocerca volvulus	Chorion peroxidase homolog	0.0032	0.0453	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Brugia malayi	hypothetical protein	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0185	0.3673	0.3595
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0035	0.0521	0.0792
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0122	0.0558
Brugia malayi	Sugar transporter family protein	0.0016	0.0122	0.0558
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0453	0.2068
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Plasmodium vivax	hexose transporter	0.0114	0.2191	0.2094
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Schistosoma mansoni	glucose transporter	0.0016	0.0122	0.0558
Giardia lamblia	Sugar-proton symporter	0.0016	0.0122	0.2416
Schistosoma mansoni	sugar transporter	0.0016	0.0122	0.0558
Onchocerca volvulus	Peroxidase homolog	0.0032	0.0453	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0506	0.2309
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Onchocerca volvulus		0.0032	0.0453	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0035	0.0521	0.0404
Toxoplasma gondii	sugar transporter ST2	0.0016	0.0122	0.0186
Schistosoma mansoni	sugar transporter	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0521	0.2377
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.2191	1
Onchocerca volvulus		0.0016	0.0122	0.2698
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.004	0.0626	0.095
Echinococcus granulosus	solute carrier family 22	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0485	1	1
Schistosoma mansoni	sugar transporter	0.0016	0.0122	0.0558
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0039	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0453	0.2068
Onchocerca volvulus		0.0016	0.0122	0.2698
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.053	0.8107
Brugia malayi	major facilitator superfamily protein	0.0016	0.0122	0.0558
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Echinococcus multilocularis	General substrate transporter	0.0098	0.1852	0.8455
Onchocerca volvulus		0.0016	0.0122	0.2698
Toxoplasma gondii	transporter, major facilitator family protein	0.0016	0.0122	0.0186
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0025	0.0321	0.0961
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.053	0.1973
Brugia malayi	Blistered cuticle protein 3	0.0032	0.0453	0.2068
Entamoeba histolytica	protein kinase, putative	0.0035	0.0521	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.053	0.1973
Schistosoma mansoni	hypothetical protein	0.0114	0.2191	1
Onchocerca volvulus		0.0016	0.0122	0.2698
Onchocerca volvulus		0.0032	0.0453	1
Echinococcus granulosus	solute carrier family 22	0.0016	0.0122	0.0558
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.053	0.1973
Loa Loa (eye worm)	blistered cuticle protein 3	0.0032	0.0453	0.2068
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0453	0.2068
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Onchocerca volvulus		0.0016	0.0122	0.2698
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.024	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0034	0.0506	0.2309
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0521	0.2377
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.024	1
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0034	0.0506	1
Trypanosoma brucei	glucose transporter, putative	0.0035	0.053	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0035	0.0521	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Onchocerca volvulus		0.0016	0.0122	0.2698
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0122	0.0558
Onchocerca volvulus		0.0016	0.0122	0.2698
Onchocerca volvulus		0.0016	0.0122	0.2698
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0453	0.2068
Onchocerca volvulus	Putative transporter	0.0016	0.0122	0.2698
Schistosoma mansoni	protein kinase	0.0035	0.0521	0.2377
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0025	0.0321	0.3046
Toxoplasma gondii	sugar transporter ST1	0.0016	0.0122	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.053	0.8107
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0321	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Brugia malayi	Sugar transporter family protein	0.0016	0.0122	0.0558
Chlamydia trachomatis	lysine--tRNA ligase	0.0025	0.0321	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0506	0.2309
Loa Loa (eye worm)	sugar transporter	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0558
Plasmodium vivax	proline--tRNA ligase, putative	0.004	0.0626	0.051
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.053	0.1973
Onchocerca volvulus		0.0016	0.0122	0.2698
Onchocerca volvulus	Peroxidasin homolog	0.0032	0.0453	1
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0453	0.2068
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0034	0.0506	0.2309
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.053	0.1973
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0122	0.0558
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0122	0.0558
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0034	0.0506	0.9253
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0453	0.2068
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0521	0.2377
Brugia malayi	hypothetical protein	0.0016	0.0122	0.0558
Echinococcus multilocularis	peroxidasin	0.0032	0.0453	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0453	0.2068

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.7 uM	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced PGE2 production	ChEMBL.	22000948
IC50 (binding)	= 3.4 uM	Inhibition of COX2 by chemiluminescent enzyme assay	ChEMBL.	22000948
IC50 (functional)	= 4.2 uM	Antiproliferative activity against human MCF7 cells after 48 hrs by MTT colorimetric assay	ChEMBL.	22000948
IC50 (functional)	= 5.4 uM	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT colorimetric assay	ChEMBL.	22000948
IC50 (functional)	= 10.6 uM	Antiproliferative activity against mouse B16F10 cells after 48 hrs by MTT colorimetric assay	ChEMBL.	22000948
IC50 (binding)	= 29.8 uM	Inhibition of COX1 by chemiluminescent enzyme assay	ChEMBL.	22000948

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22000948
Mus musculus	ChEMBL23	22000948

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1916954

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1565732