TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.461 | Formula: C19H23FN2O3S
H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(N1CCCC1)CNS(=O)(=O)c1cccc(c1)F
InChi: 1S/C19H23FN2O3S/c1-25-17-9-7-15(8-10-17)19(22-11-2-3-12-22)14-21-26(23,24)18-6-4-5-16(20)13-18/h4-10,13,19,21H,2-3,11-12,14H2,1H3
InChiKey: ULUOSBMMIISHBM-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
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0056	0.1042	0.1499
Echinococcus multilocularis	expressed protein	0.0373	1	1
Echinococcus granulosus	ryanodine receptor 44f	0.0203	0.5185	0.5156
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1243	0.1396
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.5334	0.631
Echinococcus granulosus	tar DNA binding protein	0.0063	0.1243	0.1189
Schistosoma mansoni	hypothetical protein	0.0181	0.4571	0.5326
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0533	0.0475
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1243	0.1396
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0296	0.0237
Loa Loa (eye worm)	ryanodine receptor	0.0076	0.1595	0.1836
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.1243	0.1457
Trypanosoma cruzi	hypothetical protein, conserved	0.0228	0.5879	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1243	0.1396
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0265	0.0206
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0052	0.0918	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0558	0.0595
Schistosoma mansoni	DNA topoisomerase II	0.0072	0.1473	0.1668
Brugia malayi	Probable DNA topoisomerase II	0.0072	0.1473	0.1727
Trypanosoma brucei	hypothetical protein, conserved	0.0228	0.5879	1
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0026	0.0193	0.0159
Trypanosoma brucei	DNA topoisomerase ii	0.0056	0.1042	0.1499
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0202	0.5171	0.5142
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.1318	0.1546
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.03	0.0196
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.03	0.1302
Brugia malayi	hypothetical protein	0.003	0.03	0.0352
Onchocerca volvulus		0.0056	0.1026	0.1585
Leishmania major	DNA topoisomerase ii	0.0064	0.127	0.19
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.1318	0.1265
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1318	0.1985
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0296	0.0237
Schistosoma mansoni	hypothetical protein	0.0181	0.4571	0.5326
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0026	0.0193	0.0133
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0193	0.0159
Brugia malayi	RNA binding protein	0.0063	0.1243	0.1457
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.03	0.0196
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0072	0.1473	0.1727
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1318	0.1985
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0026	0.0193	0.0159
Plasmodium falciparum	DNA topoisomerase 2	0.0072	0.1473	0.9664
Brugia malayi	hypothetical protein	0.0122	0.2892	0.3391
Echinococcus granulosus	dihydrofolate reductase	0.0191	0.486	0.4829
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0189	0.0507
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0296	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0203	0.5185	0.6132
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0037	0.0501	0.0519
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0073	0.152	1
Onchocerca volvulus	Matrilysin homolog	0.0056	0.1026	0.1585
Giardia lamblia	DNA topoisomerase II	0.0068	0.1384	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0073	0.152	0.234
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0202	0.5171	0.5142
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0024	0.0118	0.5
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.1318	0.1985
Leishmania major	hypothetical protein, conserved	0.0228	0.5879	1
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0321	0.8529	1
Leishmania major	hypothetical protein, conserved	0.003	0.03	0.0196
Echinococcus granulosus	ryanodine receptor 44f	0.026	0.6802	0.6782
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.6146	1
Brugia malayi	Dihydrofolate reductase	0.0191	0.486	0.5698
Entamoeba histolytica	DNA topoisomerase II, putative	0.0072	0.1473	1
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.6065	0.711
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.03	0.1302
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.1318	0.1265
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1318	0.1985
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0081	0.1752	0.1996
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0346	0.0341
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.1243	0.1414
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0193	0.0159
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0026	0.0193	0.0159
Loa Loa (eye worm)	ryanodine receptor	0.012	0.2843	0.333
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0073	0.152	0.234
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0072	0.1473	0.1421
Schistosoma mansoni	hypothetical protein	0.0079	0.1691	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1026	0.1155
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.03	0.1302
Echinococcus multilocularis	ryanodine receptor 44f	0.0203	0.5185	0.5156
Echinococcus multilocularis	ryanodine receptor 44f	0.026	0.6802	0.6782
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0296	0.0278
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0124	0.2941	0.4733
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0189	0.0906
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.1243	0.1414
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0056	0.1026	0.1139
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0052	0.0918	0.1408
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0191	0.486	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1026	0.1155
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0073	0.152	1
Brugia malayi	MIR domain containing protein	0.0022	0.0061	0.0071
Loa Loa (eye worm)	hypothetical protein	0.003	0.0296	0.0282
Brugia malayi	cation channel family protein	0.0137	0.3333	0.3908
Loa Loa (eye worm)	dihydrofolate reductase	0.0191	0.486	0.5743
Brugia malayi	Matrixin family protein	0.0056	0.1026	0.1203
Leishmania major	mitochondrial DNA topoisomerase II	0.0056	0.1042	0.1499
Plasmodium vivax	DNA topoisomerase II, putative	0.0072	0.1473	0.9664
Brugia malayi	dihydrofolate reductase family protein	0.0191	0.486	0.5698
Brugia malayi	Matrixin family protein	0.0056	0.1026	0.1203
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1243	0.1396
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0193	0.0007
Schistosoma mansoni	ryanodine receptor related	0.0321	0.8529	1
Brugia malayi	Pre-SET motif family protein	0.0208	0.5334	0.6254
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1243	0.1396
Loa Loa (eye worm)	matrixin family protein	0.0135	0.3256	0.3823
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0296	0.0278
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0296	0.1274
Chlamydia trachomatis	dihydrofolate reductase	0.0191	0.486	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.1318	0.1485
Brugia malayi	Matrixin family protein	0.0056	0.1026	0.1203
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0072	0.1473	0.2321
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0346	0.0341
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0296	0.0278
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0189	0.0507
Brugia malayi	Matrixin family protein	0.0056	0.1026	0.1203
Brugia malayi	Hemopexin family protein	0.0079	0.1683	0.1973
Onchocerca volvulus		0.0079	0.1683	0.2666
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0052	0.0918	0.1408
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.1318	0.1505
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0072	0.1473	0.1727
Echinococcus granulosus	citrate lyase subunit beta protein	0.0026	0.0193	0.0133
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0193	0.0007
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0056	0.1042	0.1499
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0064	0.127	0.19
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0068	0.1368	0.1604
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0039	0.0558	0.0588
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0189	0.0153
Schistosoma mansoni	hypothetical protein	0.0079	0.1683	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0808	0.0895
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0073	0.152	1
Loa Loa (eye worm)	TOPoisomerase family member	0.0072	0.1473	0.169
Echinococcus granulosus	geminin	0.0181	0.4571	0.4538
Mycobacterium ulcerans	hydrolase	0.0068	0.1368	0.2637
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0073	0.152	0.234
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0193	0.0007
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.6065	0.7185
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0189	0.021
Chlamydia trachomatis	DNA gyrase subunit B	0.0039	0.0549	0.091
Onchocerca volvulus		0.0237	0.6146	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.03	0.1302
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.1243	0.1189
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0533	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1026	0.1155
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0189	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1109	0.1254
Loa Loa (eye worm)	matrixin family protein	0.0124	0.2941	0.3447
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0191	0.486	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0808	0.0895
Loa Loa (eye worm)	matrix metalloproteinase	0.0056	0.1026	0.1155
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0118	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0317	0.8417	1
Brugia malayi	Matrixin family protein	0.0135	0.3256	0.3817
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0064	0.127	0.19
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.03	0.0196
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0116	0.2725	0.4458
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0193	0.0159
Schistosoma mansoni	dihydrofolate reductase	0.0191	0.486	0.5667
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0026	0.0193	0.0159
Brugia malayi	Flap endonuclease-1	0.0026	0.0189	0.0221
Leishmania major	hypothetical protein, conserved	0.0079	0.1678	0.2617
Loa Loa (eye worm)	hypothetical protein	0.003	0.03	0.0286
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0064	0.127	0.19
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.1318	0.8903
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0072	0.1473	0.1421
Onchocerca volvulus		0.003	0.0296	0.0387
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0116	0.2725	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1368	0.1565
Echinococcus multilocularis	dihydrofolate reductase	0.0191	0.486	0.4829
Brugia malayi	TAR-binding protein	0.0063	0.1243	0.1457
Loa Loa (eye worm)	RNA binding protein	0.0063	0.1243	0.1414
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0072	0.1473	0.9664
Echinococcus multilocularis	geminin	0.0181	0.4571	0.4538
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0068	0.1368	0.2637
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0189	0.0507
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0064	0.127	0.19
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0191	0.486	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0296	0.1274
Onchocerca volvulus	Matrilysin homolog	0.0124	0.2941	0.4733
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0026	0.0193	0.0217
Brugia malayi	Pre-SET motif family protein	0.003	0.0296	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0061	0.118	0.1339
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0024	0.0118	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0228	0.5879	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0296	0.0237
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0098	0.2228	0.2559
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0189	0.0129

Activities

No activities found for this compound.

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: CHEMBL1906776

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1540840