TDR Targets

Basic information

Technical information

TDR Targets ID: 846049
Name: 6-chloro-4-(4-phenylpiperazin-1-yl)-3-phenyls ulfonylquinoline
MW: 463.979 | Formula: C25H22ClN3O2S
H donors: 0 H acceptors: 3 LogP: 5.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)c(N1CCN(CC1)c1ccccc1)c(cn2)S(=O)(=O)c1ccccc1
InChi: 1S/C25H22ClN3O2S/c26-19-11-12-23-22(17-19)25(24(18-27-23)32(30,31)21-9-5-2-6-10-21)29-15-13-28(14-16-29)20-7-3-1-4-8-20/h1-12,17-18H,13-16H2
InChiKey: FIOKEEGVUYUHAY-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

6-chloro-4-(4-phenylpiperazin-1-yl)-3-phenylsulfonyl-quinoline
6-chloro-4-(4-phenyl-1-piperazinyl)-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	Muscleblind-like protein	0.0165	0.0471	0.2186
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0129	0.0342	0.0702
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0149	0.0414	0.0414
Plasmodium vivax	hypothetical protein, conserved	0.0065	0.0115	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0073	0.0156
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0122	0.0259
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0235	0.072	0.1877
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0073	0.0339
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0149	0.0414	0.088
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0968	0.3335	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0065	0.0115	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0637	0.2156	0.4164
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0065	0.0115	0.0246
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0122	0.0084
Brugia malayi	amine oxidase, flavin-containing family protein	0.0065	0.0115	0.0535
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0073	0.0156
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.023	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.01	0.0239	0.0239
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0065	0.0115	0.0223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0073	0.0156
Loa Loa (eye worm)	hypothetical protein	0.01	0.0239	0.0239
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.008	0.0369
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0055	0.008	0.0369
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0135	0.0362	0.0771
Echinococcus multilocularis	adam	0.0235	0.0719	0.1531
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Schistosoma mansoni	carbonic anhydrase	0.0276	0.0866	0.1844
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0065	0.0115	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0055	0.008	0.008
Schistosoma mansoni	microtubule-associated protein tau	0.0763	0.2603	0.5541
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0065	0.0115	0.0246
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0149	0.0414	1
Brugia malayi	angiogenesis inhibito	0.01	0.0239	0.111
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0073	0.0073
Trypanosoma brucei	carbonic anhydrase-like protein	0.0149	0.0414	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0149	0.0414	1
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0847	0.2904	0.6181
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0065	0.0115	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0122	0.0259
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0055	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Loa Loa (eye worm)	glutaminase 2	0.0302	0.096	0.096
Echinococcus multilocularis		0.0065	0.0115	0.0246
Echinococcus multilocularis	microtubule associated protein 2	0.0763	0.2603	0.5541
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Onchocerca volvulus		0.0262	0.0816	1
Echinococcus granulosus	carbonic anhydrase II	0.0149	0.0414	0.0799
Brugia malayi	ADAMTS-like protease	0.01	0.0239	0.111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0073	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0115	0.0115
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0122	0.0017
Mycobacterium ulcerans	carbonic anhydrase	0.0276	0.0866	0.2005
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0122	0.0235
Leishmania major	carbonic anhydrase-like protein	0.0149	0.0414	0.397
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0065	0.0115	0.9485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0073	0.0141
Mycobacterium leprae	Probable transmembrane transport protein	0.0235	0.072	0.8046
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.008	0.0169
Schistosoma mansoni	carbonic anhydrase	0.0055	0.008	0.0169
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0065	0.0115	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.008	0.0369
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0847	0.2904	0.5608
Schistosoma mansoni	amine oxidase	0.0065	0.0115	0.0246
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0065	0.0115	1
Onchocerca volvulus	Putative sulfate transporter	0.0203	0.0607	0.744
Echinococcus granulosus	microtubule associated protein 2	0.0763	0.2603	0.5027
Loa Loa (eye worm)	hypothetical protein	0.0055	0.008	0.008
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0122	0.0017
Plasmodium vivax	hypothetical protein, conserved	0.0065	0.0115	1
Echinococcus granulosus	carbonic anhydrase	0.0055	0.008	0.0154
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.008	0.0169
Plasmodium falciparum	protoporphyrinogen oxidase	0.0065	0.0115	1
Brugia malayi	glutaminase DH11.1	0.0302	0.096	0.4453
Echinococcus multilocularis	carbonic anhydrase II	0.0149	0.0414	0.088
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0637	0.2156	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0863	0.2959	0.8833
Entamoeba histolytica	carbonic anhydrase, putative	0.0276	0.0866	0.5
Schistosoma mansoni	hypothetical protein	0.0055	0.008	0.0169
Echinococcus granulosus	carbonic anhydrase	0.0055	0.008	0.0154
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0149	0.0414	0.1918
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0122	0.0019
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0382	0.1244	0.3507
Onchocerca volvulus		0.0065	0.0115	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0471	0.0471
Mycobacterium ulcerans	glutaminase	0.0302	0.096	0.2256
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0065	0.0115	1
Echinococcus granulosus	adam	0.0235	0.0719	0.1389
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.135	0.4697	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0122	0.0017
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0276	0.0866	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0149	0.0414	0.0414
Loa Loa (eye worm)	reprolysin	0.0135	0.0362	0.0362
Schistosoma mansoni	amine oxidase	0.0065	0.0115	0.0246
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0122	1
Brugia malayi	hypothetical protein	0.0235	0.0719	0.3336
Trichomonas vaginalis	conserved hypothetical protein	0.1115	0.386	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0471	0.0471
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0637	0.2156	0.459
Toxoplasma gondii	histone lysine-specific demethylase	0.0065	0.0115	0.9485
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0928	0.3192	0.8218
Echinococcus granulosus	carbonic anhydrase	0.0055	0.008	0.0154
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.008	0.0169
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.008	0.0169
Trichomonas vaginalis	conserved hypothetical protein	0.1115	0.386	1
Echinococcus granulosus	disintegrin and metalloproteinase	0.0135	0.0362	0.07
Echinococcus multilocularis	adam 17 protease	0.135	0.4697	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0928	0.3192	0.8218
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0235	0.0719	0.1531
Echinococcus multilocularis	carbonic anhydrase	0.0055	0.008	0.0169
Brugia malayi	hypothetical protein	0.0065	0.0115	0.0535
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0055	0.008	0.0369
Schistosoma mansoni	carbonic anhydrase-related	0.0055	0.008	0.0169
Loa Loa (eye worm)	hypothetical protein	0.01	0.0239	0.0239
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0135	0.0362	0.07
Brugia malayi	ADAM-TS Spacer 1 family protein	0.01	0.0239	0.111
Brugia malayi	SWIRM domain containing protein	0.0065	0.0115	0.0535
Echinococcus multilocularis	muscleblind protein 1	0.0165	0.0471	0.1003
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0122	0.0259
Leishmania major	carbonic anhydrase family protein, putative	0.0276	0.0866	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0065	0.0115	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0065	0.0115	0.5
Onchocerca volvulus		0.0203	0.0607	0.744
Loa Loa (eye worm)	glutaminase	0.0302	0.096	0.096
Trichomonas vaginalis	glutaminase, putative	0.0302	0.096	0.0473
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0073	0.0156
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0135	0.0362	0.0771
Brugia malayi	Pre-SET motif family protein	0.023	0.0703	0.326
Echinococcus granulosus	adam 17 protease	0.1484	0.5177	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0149	0.0414	0.1918
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0637	0.2156	0.459
Echinococcus granulosus	muscleblind protein	0.0165	0.0471	0.091
Schistosoma mansoni	glutaminase	0.0302	0.096	0.2044
Echinococcus multilocularis	muscleblind protein	0.0165	0.0471	0.1003
Schistosoma mansoni	dihydroceramide desaturase	0.0135	0.0362	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0362	0.0362
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0149	0.0414	0.088
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0135	0.0362	0.0771
Brugia malayi	Disintegrin family protein	0.0135	0.0362	0.1681
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0135	0.0362	0.0771
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0055	0.008	0.0369
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0073	0.0156
Mycobacterium ulcerans	carbonic anhydrase	0.1115	0.386	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.008	0.008
Toxoplasma gondii	hypothetical protein	0.0055	0.008	0.6538

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 846049