TDR Targets

Basic information

Technical information

TDR Targets ID: 779166
Name: 2-chloro-7-methoxy-3-[5-(4-methylphenyl)-2-me thylsulfonyl-3,4-dihydropyrazol-3-yl]quinolin e
MW: 429.92 | Formula: C21H20ClN3O3S
H donors: 0 H acceptors: 3 LogP: 4.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)C)Cl
InChi: 1S/C21H20ClN3O3S/c1-13-4-6-14(7-5-13)19-12-20(25(24-19)29(3,26)27)17-10-15-8-9-16(28-2)11-18(15)23-21(17)22/h4-11,20H,12H2,1-3H3
InChiKey: PAHFAUHGEDZETF-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

2-chloro-3-[2-mesyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-7-methoxy-quinoline
Oprea1_597580
STOCK2S-88726

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	hypothetical protein	0.0036	0.0091	0.012
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0053	0.0726	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0092	0.0092
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0053	0.0726	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0053	0.0726	0.251
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0179	0.0237
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0103	0.262	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0848	0.1122
Onchocerca volvulus	Matrilysin homolog	0.007	0.1398	0.1592
Brugia malayi	jmjC domain containing protein	0.0058	0.093	0.123
Mycobacterium leprae	PROBABLE HYDROLASE	0.0086	0.1978	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0267	0.0202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0442	0.0442
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0103	0.262	0.291
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0091	0.0091
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0053	0.0726	0.096
Onchocerca volvulus		0.007	0.1398	0.1592
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0092	0.0092
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0053	0.0726	0.251
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0256	0.8419	0.8419
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0183	0.5643	0.5643
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0726	0.0726
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0103	0.262	0.262
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0452	0.0452
Schistosoma mansoni	immunophilin	0.0045	0.0452	0.0452
Brugia malayi	RNA, U transporter 1	0.0079	0.1735	0.2295
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.5643	0.5643
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0267	0.0202
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0848	0.1122
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.007	0.1398	0.1398
Onchocerca volvulus		0.0036	0.0092	0.0105
Loa Loa (eye worm)	FKBP5 protein	0.0053	0.0726	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0179	0.0179
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0442	0.0442
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0267	0.0202
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0267	0.0202
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.093	0.093
Brugia malayi	CAAX amino terminal protease family protein	0.0103	0.262	0.3466
Brugia malayi	beta-lactamase family protein	0.0036	0.0092	0.0122
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0726	0.2507
Brugia malayi	Matrixin family protein	0.007	0.1398	0.1849
Onchocerca volvulus		0.0036	0.0092	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0848	0.0848
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0442	0.0442
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0091	0.0091
Loa Loa (eye worm)	matrix metalloproteinase	0.007	0.1398	0.1398
Echinococcus multilocularis	fk506 binding protein	0.0053	0.0726	0.0726
Echinococcus granulosus	geminin	0.0184	0.5678	0.5678
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0726	0.2507
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0053	0.0726	0.0726
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0053	0.0726	0.0726
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0267	0.0697
Schistosoma mansoni	immunophilin	0.0053	0.0726	0.0726
Schistosoma mansoni	hypothetical protein	0.0184	0.5678	0.5678
Onchocerca volvulus	Matrilysin homolog	0.0156	0.4642	0.5287
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0103	0.262	0.262
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0726	0.073
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0103	0.262	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0267	0.0697
Echinococcus multilocularis	geminin	0.0184	0.5678	0.5678
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0726	0.2507
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0442	0.0585
Loa Loa (eye worm)	matrixin family protein	0.0156	0.4642	0.4642
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0092	0.1269
Onchocerca volvulus		0.0036	0.0092	0.0105
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0726	0.073
Loa Loa (eye worm)	hypothetical protein	0.007	0.1398	0.1398
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0726	0.2507
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0267	0.0267
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0103	0.262	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0452	0.0452
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0092	0.0092
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0267	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.0267	0.0202
Schistosoma mansoni	hypothetical protein	0.0184	0.5678	0.5678
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0442	0.0442
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0442	0.0442
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0183	0.5643	0.7465
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0092	0.0122
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.741	1
Onchocerca volvulus		0.0106	0.273	0.311
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.0267	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0086	0.1978	0.2617
Trichomonas vaginalis	immunophilin, putative	0.0053	0.0726	0.073
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0267	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0726	0.2507
Brugia malayi	Matrixin family protein	0.017	0.5174	0.6844
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0267	0.0693
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.0267	0.0202
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0053	0.0726	0.096
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0156	0.4642	0.5287
Brugia malayi	Matrixin family protein	0.007	0.1398	0.1849
Brugia malayi	beta-lactamase	0.0036	0.0092	0.0122
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0092	0.0092
Toxoplasma gondii	ABC1 family protein	0.0036	0.0092	0.3446
Echinococcus granulosus	lysosomal alpha glucosidase	0.0183	0.5643	0.5643
Brugia malayi	Pre-SET motif family protein	0.0234	0.756	1
Schistosoma mansoni	immunophilin	0.0053	0.0726	0.0726
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0267	0.0202
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.0267	0.0693
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0442	0.0442
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0092	0.0092
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.093	0.093
Onchocerca volvulus		0.0266	0.878	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0234	0.756	0.756
Echinococcus multilocularis	snurportin 1	0.0298	1	1
Schistosoma mansoni	hypothetical protein	0.01	0.2511	0.2511
Schistosoma mansoni	hypothetical protein	0.0298	1	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0726	0.2507
Echinococcus granulosus	CAAX prenyl protease 2	0.0103	0.262	0.262
Schistosoma mansoni	alpha-glucosidase	0.0157	0.4681	0.4681
Entamoeba histolytica	CAAX prenyl protease family	0.0103	0.262	1
Leishmania major	fk506-binding protein 1-like protein	0.0053	0.0726	0.2507
Brugia malayi	Matrixin family protein	0.007	0.1398	0.1849
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0092	0.0092
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0726	0.0726
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.093	0.093
Leishmania major	peptidylprolyl isomerase-like protein	0.0053	0.0726	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1978	0.1978
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0103	0.262	1
Trichomonas vaginalis	set domain proteins, putative	0.0266	0.878	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0848	0.0848
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0053	0.0726	0.5
Brugia malayi	Hemopexin family protein	0.01	0.2511	0.3321
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0053	0.0726	0.3361
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0442	0.0442
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0103	0.262	0.262
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0452	0.0452
Giardia lamblia	Hypothetical protein	0.0103	0.262	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0267	0.0693
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0053	0.0726	0.0726
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0267	0.0202
Trypanosoma brucei	glucosidase, putative	0.0041	0.0267	0.0693
Brugia malayi	beta-lactamase family protein	0.0036	0.0092	0.0122
Trichomonas vaginalis	fk506-binding protein, putative	0.0053	0.0726	0.073
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.007	0.1398	0.1398
Brugia malayi	Matrixin family protein	0.007	0.1398	0.1849
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.093	0.093
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.093	0.093
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0267	0.0267
Schistosoma mansoni	hypothetical protein	0.0038	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0256	0.8419	0.8419
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0267	0.0353
Schistosoma mansoni	alpha glucosidase	0.0041	0.0267	0.0267
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0167	0.506	0.506
Loa Loa (eye worm)	matrixin family protein	0.017	0.5174	0.5174
Onchocerca volvulus		0.01	0.2511	0.286
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0091	0.0091
Echinococcus multilocularis	CAAX prenyl protease 2	0.0103	0.262	0.262
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0298	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.1398	0.1398
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0086	0.1978	0.2577
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0092	0.0092
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.5643	0.5643
Brugia malayi	jmjC domain containing protein	0.0058	0.093	0.123
Schistosoma mansoni	alpha-glucosidase	0.0157	0.4681	0.4681
Mycobacterium ulcerans	hydrolase	0.0086	0.1978	1
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.093	0.093

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 779166