TDR Targets

Basic information

Technical information

TDR Targets ID: 862597
Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fl uoro-3-phenylsulfonylquinoline
MW: 475.578 | Formula: C27H26FN3O2S
H donors: 0 H acceptors: 3 LogP: 5.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)c(N1CCN(CC1)c1cc(C)ccc1C)c(cn2)S(=O)(=O)c1ccccc1
InChi: 1S/C27H26FN3O2S/c1-19-8-9-20(2)25(16-19)30-12-14-31(15-13-30)27-23-17-21(28)10-11-24(23)29-18-26(27)34(32,33)22-6-4-3-5-7-22/h3-11,16-18H,12-15H2,1-2H3
InChiKey: QQNJYMJDBMZSAI-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

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fluoro-3-phenylsulfonyl-quinoline
4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-fluoro-3-phenylsulfonylquinoline

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
Brugia malayi	Dynamin	0.0169	0.7387	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0903	0.0817
Echinococcus multilocularis	expressed conserved protein	0.009	0.3551	0.4084
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.5812	0.7571
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0903	0.0137
Schistosoma mansoni	hypothetical protein	0.0039	0.1124	0.0474
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.5812	0.7571
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0903	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1196	0.1567
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0903	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0903	0.0903
Trypanosoma cruzi	dynamin-1-like protein	0.0157	0.6803	1
Brugia malayi	Dynamin central region family protein	0.0157	0.6803	0.9173
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0903	0.0903
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0169	0.7387	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0095	0.3831	0.5156
Onchocerca volvulus		0.0035	0.0903	1
Schistosoma mansoni	dynamin	0.0169	0.7387	1
Loa Loa (eye worm)	DRP-1 protein	0.0157	0.6803	0.9204
Brugia malayi	CHE-14 protein	0.0041	0.1196	0.1231
Echinococcus granulosus	dynamin 1	0.0169	0.7387	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.1196	0.1567
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0903	0.0903
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.3277
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0045	0.0045
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0903	0.0903
Giardia lamblia	Dynamin	0.0157	0.6803	0.5
Toxoplasma gondii	dynamin-related protein DRPA	0.0157	0.6803	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1552	0.2052
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.3277
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0326	0.3277
Toxoplasma gondii	dynamin-related protein DRPB	0.0157	0.6803	1
Trichomonas vaginalis	mgm1, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Plasmodium vivax	dynamin-like protein, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1552	0.2052
Echinococcus multilocularis	dynamin 1	0.0169	0.7387	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Entamoeba histolytica	dynamin-1-like protein, putative	0.0047	0.1509	0.1825
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0383
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1552	0.1736
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0903	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.1196	0.0452
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0045	0.5
Schistosoma mansoni	dynamin	0.0157	0.6803	0.9112
Brugia malayi	beta-lactamase	0.0035	0.0903	0.0817
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0903	0.0903
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.3831	0.4963
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1552	0.1736
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0903	0.0903
Trypanosoma brucei	dynamin-1-like protein	0.0157	0.6803	1
Entamoeba histolytica	dynamin-1-like protein, putative	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0813	0.1045
Plasmodium vivax	dynamin protein, putative	0.0157	0.6803	1
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0903	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0903	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0326	0.3277
Schistosoma mansoni	hypothetical protein	0.0039	0.1124	0.0474
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0326	0.0326
Entamoeba histolytica	dynamin-like protein	0.0157	0.6803	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1641	0.2174
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0903	0.1168
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Plasmodium falciparum	dynamin-like protein	0.0157	0.6803	1
Echinococcus granulosus	expressed conserved protein	0.009	0.3551	0.4084
Schistosoma mansoni	patched 1	0.0041	0.1196	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0383
Schistosoma mansoni	dynamin	0.0169	0.7387	1
Toxoplasma gondii	dynamin gtpase	0.0103	0.4214	0.5613
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0903	0.0903
Echinococcus multilocularis	protein dispatched 1	0.0047	0.1476	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.3902	0.47
Echinococcus multilocularis	dynamin	0.0157	0.6803	0.9099
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.3831	0.5411
Plasmodium falciparum	dynamin-like protein	0.0157	0.6803	1
Trypanosoma brucei	dynamin-1-like protein	0.0157	0.6803	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0903	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0326	0.3277
Brugia malayi	Dynamin	0.0169	0.7387	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0903	0.0817
Schistosoma mansoni	hypothetical protein	0.0039	0.1124	0.0474
Echinococcus multilocularis	dynamin 1 protein	0.0157	0.6803	0.9099
Schistosoma mansoni	hypothetical protein	0.0039	0.1124	0.0474
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.1196	0.0452
Leishmania major	hypothetical protein, conserved	0.0035	0.0903	0.089
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.3831	0.4516
Echinococcus multilocularis	protein patched	0.0041	0.1196	0.0452
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0326	0.3277
Onchocerca volvulus		0.0035	0.0903	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0903	1
Trichomonas vaginalis	interferon-induced GTP-binding protein mx, putative	0.0157	0.6803	1
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0903	0.0137
Echinococcus granulosus	dynamin	0.0157	0.6803	0.9099
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0903	0.1269
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0903	0.0903
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0813	0.0689
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0903	1
Echinococcus granulosus	dynamin 1 protein	0.0157	0.6803	0.9099
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0903	0.0903
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.1196	0.0452
Trichomonas vaginalis	dynamin, putative	0.0157	0.6803	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0326	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0383
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.3277
Leishmania major	GTP-binding protein, putative	0.0157	0.6803	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0903	0.0817
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0903	0.0903
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.3831	0.4516
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0903	0.1168
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.1196	0.0496
Onchocerca volvulus		0.0035	0.0903	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 862597