TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.518 | Formula: C26H19FN4O2S
H donors: 3 H acceptors: 3 LogP: 4.64 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)c1ccc(s1)c1nc2c([nH]1)ccc(c2)F
InChi: 1S/C26H19FN4O2S/c1-15(32)28-19-6-3-5-17(13-19)26(33)29-20-7-2-4-16(12-20)23-10-11-24(34-23)25-30-21-9-8-18(27)14-22(21)31-25/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31)
InChiKey: JMTOQDVOMANNSN-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

No curated genes were found associated with this compound

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
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.016	0.0147
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0015	0.0369	0.461
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.0459	0.0459
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0014	0.0354	0.0341
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0019	0.0534	0.6744
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0021	0.0605	0.9663
Schistosoma mansoni	hypothetical protein	0.0155	0.543	0.543
Echinococcus granulosus	importin subunit beta 1	0.0026	0.0786	0.0773
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.016	0.0582
Schistosoma mansoni	hypothetical protein	0.0014	0.0354	0.0354
Schistosoma mansoni	hypothetical protein	0.0033	0.1021	0.1021
Trichomonas vaginalis	ran, putative	0.0019	0.0534	0.8499
Plasmodium falciparum	importin beta, putative	0.0026	0.0786	1
Schistosoma mansoni	DNA helicase recq5	0.0009	0.016	0.016
Loa Loa (eye worm)	hypothetical protein	0.0046	0.148	0.1468
Schistosoma mansoni	hypothetical protein	0.0014	0.0354	0.0354
Echinococcus multilocularis	importin subunit beta 1	0.0026	0.0786	0.0773
Plasmodium vivax	importin-beta 2, putative	0.0026	0.0786	1
Brugia malayi	Latrophilin receptor protein 2	0.0014	0.0354	0.1348
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0626	0.0614
Echinococcus multilocularis	geminin	0.0155	0.543	0.5424
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0033	0.1021	0.1009
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0021	0.0605	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0019	0.0534	0.6799
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0019	0.0534	0.6744
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.0013	0.0169
Schistosoma mansoni	DNA helicase recq1	0.0009	0.016	0.016
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.016	0.0147
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0009	0.016	0.1906
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.016	0.2043
Toxoplasma gondii	HEAT repeat-containing protein	0.0026	0.0786	1
Trichomonas vaginalis	importin beta-1, putative	0.0021	0.0605	0.9663
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0786	0.0773
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0014	0.0354	0.0341
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0046	0.148	0.1468
Schistosoma mansoni	hypothetical protein	0.0282	1	1
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0626	0.0614
Schistosoma mansoni	ran	0.0019	0.0534	0.0534
Echinococcus granulosus	geminin	0.0155	0.543	0.5424
Schistosoma mansoni	importin beta-1	0.0026	0.0786	0.0786
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0019	0.0534	0.206
Loa Loa (eye worm)	hypothetical protein	0.0009	0.016	0.0147
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0019	0.0534	0.7954
Trypanosoma brucei	importin beta-1 subunit, putative	0.0026	0.0786	1
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0626	0.0614
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0046	0.148	0.58
Trypanosoma brucei	importin beta-1 subunit, putative	0.0026	0.0786	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0014	0.0354	0.0341
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0021	0.0605	0.9663
Schistosoma mansoni	hypothetical protein	0.0014	0.0354	0.0354
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0019	0.0534	0.7954
Entamoeba histolytica	hypothetical protein	0.0033	0.1021	1
Echinococcus multilocularis	GPCR, family 2	0.0014	0.0354	0.0341
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0257	0.2514
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.0363	0.462
Echinococcus granulosus	GPCR family 2	0.0014	0.0354	0.0341
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.0013	0.0169
Entamoeba histolytica	Ran family GTPase	0.0019	0.0534	0.5229
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0282	1	1
Schistosoma mansoni	hypothetical protein	0.0155	0.543	0.543
Entamoeba histolytica	HEAT repeat domain containing protein	0.0005	0.0013	0.013
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0019	0.0534	1
Schistosoma mansoni	ran	0.0019	0.0534	0.0534
Schistosoma mansoni	hypothetical protein	0.0014	0.0354	0.0354
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0626	0.2424
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0257	0.3153
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.016	0.0582
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0019	0.0534	0.0521
Brugia malayi	hypothetical protein	0.0033	0.1021	0.3988
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0626	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0014	0.0354	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0111	0.3824	0.3816
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.016	0.0147
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0014	0.0354	0.0341
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.016	0.0147
Entamoeba histolytica	hypothetical protein	0.0033	0.1021	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0019	0.0534	0.0521
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.016	0.2043
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0019	0.0534	0.0521
Brugia malayi	latrophilin 2 splice variant baaae	0.0031	0.0959	0.374
Entamoeba histolytica	hypothetical protein	0.0033	0.1021	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0257	0.3973
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0033	0.1021	0.1009
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0014	0.0354	0.1348
Brugia malayi	Importin beta-1 subunit	0.0026	0.0786	0.3055
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0257	0.4112
Entamoeba histolytica	hypothetical protein	0.0033	0.1021	1
Entamoeba histolytica	hypothetical protein	0.0021	0.0605	0.5927
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.016	0.0147
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0626	1
Brugia malayi	RNA, U transporter 1	0.0075	0.2541	1
Leishmania major	GTP-binding protein, putative	0.0019	0.0534	0.8795
Leishmania major	importin beta-1 subunit, putative	0.0021	0.0605	1
Schistosoma mansoni	importin-beta 2	0.0005	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0354	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0959	0.0947
Echinococcus multilocularis	snurportin 1	0.0282	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0959	0.0959
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0046	0.148	0.58
Schistosoma mansoni	transcription factor LCR-F1	0.0033	0.1021	0.1021
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.053	0.6688
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0019	0.0534	0.6744

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.19 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.81 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 3.63 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 30 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 88 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 94 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 9.17	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 30 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 88 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 94 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.05	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.89557 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL531408
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 600486