TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.865 | Formula: C20H17ClO3S
H donors: 1 H acceptors: 2 LogP: 5.05 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC1=C(Sc2ccccc2Cl)C(=O)OC2(C1)CCCc1c2cccc1
InChi: 1S/C20H17ClO3S/c21-15-9-3-4-10-17(15)25-18-16(22)12-20(24-19(18)23)11-5-7-13-6-1-2-8-14(13)20/h1-4,6,8-10,22H,5,7,11-12H2
InChiKey: ARXGAYSNNUEORZ-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	lactate dehydrogenase C	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	l-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania mexicana	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	L lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase protein	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	L lactate dehydrogenase B chain	Get druggable targets OG5_126911	All targets in OG5_126911
Brugia malayi	lactate dehydrogenase.	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium parvum	lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	lactate dehydrogenase protein	Get druggable targets OG5_126911	All targets in OG5_126911
Babesia bovis	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Entamoeba histolytica	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania infantum	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Theileria parva	L-lactate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium knowlesi	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium vivax	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium berghei	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium hominis	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium parvum	malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (NAD) (EC 1.1.1.37) (Precursor), related	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	L lactate dehydrogenase B chain	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma mansoni	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium falciparum	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium vivax	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium berghei	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	lactate dehydrogenase LDH2	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium knowlesi	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium yoelii	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania major	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium falciparum	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium hominis	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	malate dehydrogenase MDH	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	L-lactate dehydrogenase A chain, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma mansoni	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania donovani	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania braziliensis	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	L-lactate dehydrogenase B chain, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	L lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	lactate dehydrogenase LDH1	Get druggable targets OG5_126911	All targets in OG5_126911

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	lactate dehydrogenase, putative	lactate dehydrogenase C	332 aa	307 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0449	1
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0056	0.0081	0.0036
Loa Loa (eye worm)	hypothetical protein	0.005	0.0046	0.1025
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0114	0.0449	1
Echinococcus multilocularis	serine protein kinase ATM	0.0064	0.0138	0.0092
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0114	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0064	0.0138	0.2269
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0114	0.0449	0.1088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Echinococcus granulosus	lactate dehydrogenase protein	0.0056	0.0081	0.0036
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0114	0.0449	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0056	0.0081	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0064	0.0138	0.0414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0114	0.0449	0.1088
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	0.0081	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0184	0.4087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0114	0.0449	0.1352
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0064	0.0138	0.0092
Schistosoma mansoni	L-lactate dehydrogenase	0.0056	0.0081	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0081	0.1813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Toxoplasma gondii	FATC domain-containing protein	0.0064	0.0138	0.1525
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0114	0.0449	1
Echinococcus multilocularis	lactate dehydrogenase protein	0.0056	0.0081	0.0036
Echinococcus granulosus	lactate dehydrogenase a	0.0056	0.0081	0.0036
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0138	0.2269
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0449	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0114	0.0449	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0138	0.2269
Trypanosoma cruzi	hypothetical protein, conserved	0.0574	0.3325	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0138	0.3062
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0072	0.0184	0.2778
Brugia malayi	lactate dehydrogenase.	0.0056	0.0081	0.0877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1642	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0114	0.0449	0.1352
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0114	0.0449	0.1352
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0449	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0114	0.0449	1
Echinococcus granulosus	serine protein kinase ATM	0.0064	0.0138	0.0092
Leishmania major	hypothetical protein, conserved	0.0596	0.3462	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Giardia lamblia	GTOR	0.0114	0.0449	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0184	0.4087
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0056	0.0081	0.0036
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0064	0.0138	0.2269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0072	0.0184	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0449	1
Entamoeba histolytica	hypothetical protein	0.0064	0.0138	0.1525
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0114	0.0449	0.0405
Plasmodium falciparum	L-lactate dehydrogenase	0.0056	0.0081	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0114	0.0449	0.1352
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0064	0.0138	0.0092
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0064	0.0138	0.1525
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0046	0.1025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Plasmodium vivax	lactate dehydrogenase	0.0056	0.0081	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Plasmodium vivax	malate dehydrogenase, putative	0.0056	0.0081	0.5
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0114	0.0449	0.1088
Entamoeba histolytica	protein kinase rad3, putative	0.0064	0.0138	0.1525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Plasmodium falciparum	malate dehydrogenase	0.0056	0.0081	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0114	0.0449	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0184	0.4087
Trypanosoma cruzi	target of rapamycin kinase 3	0.0114	0.0449	0.1352
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0064	0.0138	0.0414
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0114	0.0449	0.1088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0138	0.3062
Schistosoma mansoni	malate dehydrogenase	0.0056	0.0081	0.0877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0114	0.0449	0.0405
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0114	0.0449	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	0.0081	0.0036
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	0.0081	0.0036
Echinococcus granulosus	lactate dehydrogenase a	0.0056	0.0081	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0449	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0114	0.0449	0.1088

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.1 uM	Inhibition of human LDH-A by biochemical assay	ChEMBL.	25467161
IC50 (binding)	= 22 uM	Inhibition of human LDH-A by biochemical assay	ChEMBL.	25467161

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: CHEMBL3359437

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 955956