TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.838 | Formula: C19H14ClNO2S
H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccccc1SC1=C(O)CC(CC1=O)c1ccc(cc1)Cl
InChi: 1S/C19H14ClNO2S/c20-15-7-5-12(6-8-15)14-9-16(22)19(17(23)10-14)24-18-4-2-1-3-13(18)11-21/h1-8,14,22H,9-10H2
InChiKey: RPWVQVUPERVHJQ-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 B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	malate dehydrogenase	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	lactate dehydrogenase, adjacent gene encodes predicted malate 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
Cryptosporidium parvum	malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Brugia malayi	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
Toxoplasma gondii	lactate dehydrogenase LDH1	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
Echinococcus multilocularis	L lactate dehydrogenase	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 falciparum	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Babesia bovis	lactate dehydrogenase	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
Plasmodium knowlesi	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
Leishmania infantum	malate dehydrogenase, putative	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
Plasmodium yoelii	l-lactate dehydrogenase	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 protein	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 mansoni	malate dehydrogenase	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
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	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
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	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
Leishmania major	malate dehydrogenase, 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
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
Echinococcus granulosus	lactate dehydrogenase a	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
Echinococcus granulosus	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 braziliensis	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
Toxoplasma gondii	malate dehydrogenase MDH	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
Schistosoma japonicum	ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative	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
Plasmodium berghei	L-lactate dehydrogenase	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
Schistosoma japonicum	L-lactate dehydrogenase A chain, putative	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
Schistosoma mansoni	L-lactate dehydrogenase	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
Entamoeba histolytica	malate dehydrogenase, putative	lactate dehydrogenase B	334 aa	300 aa	22.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0022	0.1719	0.0219
Schistosoma mansoni	L-lactate dehydrogenase	0.0056	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.1534	0.1534
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0022	0.1719	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0022	0.1719	0.1719
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0022	0.1719	0.1719
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0022	0.1719	0.5
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0022	0.1719	0.5
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Schistosoma mansoni	malate dehydrogenase	0.0022	0.1719	0.0219
Plasmodium vivax	malate dehydrogenase, putative	0.0056	1	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	1	1
Leishmania major	mitochondrial malate dehydrogenase	0.0022	0.1719	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1534	0.0065
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.1534	0.1534
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus multilocularis	malate dehydrogenase	0.0022	0.1719	0.1719
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Schistosoma mansoni	malate dehydrogenase	0.0022	0.1719	0.0219
Chlamydia trachomatis	malate dehydrogenase	0.0022	0.1719	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.1534	0.8923
Leishmania major	glycosomal malate dehydrogenase	0.0022	0.1719	0.0219
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.1534	0.1534
Plasmodium falciparum	malate dehydrogenase	0.0056	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0022	0.1719	1
Schistosoma mansoni	malate dehydrogenase	0.0056	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Leishmania major	cytosolic malate dehydrogenase	0.0022	0.1719	0.0219
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0021	0.1479	0.1479
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0056	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0056	1	1
Toxoplasma gondii	malate dehydrogenase MDH	0.0056	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.1534	0.1534
Echinococcus multilocularis	L lactate dehydrogenase	0.0034	0.4734	0.4734
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.1534	0.1534
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0022	0.1719	0.0219
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.1534	0.8923
Echinococcus granulosus	malate dehydrogenase	0.0022	0.1719	0.1719
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Leishmania major	malate dehydrogenase, putative	0.0056	1	1
Trypanosoma cruzi	malate dehydrogenase, putative	0.0022	0.1719	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.1534	0.1534
Plasmodium falciparum	L-lactate dehydrogenase	0.0056	1	1
Trichomonas vaginalis	taga, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Trypanosoma cruzi	malate dehydrogenase, putative	0.0022	0.1719	0.5
Echinococcus multilocularis	ATP binding cassette sub family B	0.0021	0.1479	0.1479
Plasmodium vivax	lactate dehydrogenase	0.0056	1	1
Mycobacterium ulcerans	malate dehydrogenase	0.0022	0.1719	0.5
Loa Loa (eye worm)	malate dehydrogenase	0.0022	0.1719	0.0282
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0022	0.1719	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1534	0.0065
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0022	0.1719	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0022	0.1719	0.0219
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0056	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.1534	0.1534
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0022	0.1719	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0022	0.1719	0.1719
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0022	0.1719	1
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0056	1	0.5
Echinococcus granulosus	lactate dehydrogenase a	0.0056	1	1
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0022	0.1719	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.1534	0.1534
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.1534	0.1534
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.1534	0.1534
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.1534	0.8923
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0022	0.1719	0.5
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0022	0.1719	0.5
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0022	0.1719	0.1719
Echinococcus multilocularis	malate dehydrogenase	0.0022	0.1719	0.1719
Giardia lamblia	Malate dehydrogenase	0.0022	0.1719	0.5
Echinococcus granulosus	lactate dehydrogenase protein	0.0056	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.1534	0.1534
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0021	0.1534	0.0065
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0022	0.1719	1
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0022	0.1719	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0022	0.1719	0.0219
Echinococcus multilocularis	lactate dehydrogenase protein	0.0056	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.1534	0.8923
Trypanosoma brucei	malate dehydrogenase-related	0.0022	0.1719	0.5
Plasmodium falciparum	lactate dehydrogenase, putative	0.0022	0.1719	0.0219
Schistosoma mansoni	L-lactate dehydrogenase	0.0022	0.1719	0.0219
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.1534	0.8923
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0022	0.1719	0.0219
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Schistosoma mansoni	malate dehydrogenase	0.0022	0.1719	0.0219
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Loa Loa (eye worm)	hypothetical protein	0.0056	1	1
Trichomonas vaginalis	abcb9, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	abcb9, putative	0.0021	0.1534	0.8923
Echinococcus granulosus	L lactate dehydrogenase	0.0034	0.4734	0.4734
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0056	1	1
Onchocerca volvulus		0.0021	0.1534	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.1534	0.1534
Loa Loa (eye worm)	malate dehydrogenase	0.0022	0.1719	0.0282
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Entamoeba histolytica	malate dehydrogenase, putative	0.0056	1	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0021	0.1534	0.0065
Trichomonas vaginalis	abcb9, putative	0.0021	0.1534	0.8923
Echinococcus multilocularis	lactate dehydrogenase a	0.0056	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.1534	0.8923
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0022	0.1719	0.5
Leishmania major	malate dehydrogenase	0.0022	0.1719	0.0219
Echinococcus granulosus	lactate dehydrogenase a	0.0056	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.1534	0.1534
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.1719	1
Trichomonas vaginalis	ABC transporter, putative	0.0021	0.1534	0.8923
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0021	0.1534	0.8923
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.1534	0.1534
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0021	0.1534	0.8923
Echinococcus granulosus	malate dehydrogenase	0.0022	0.1719	0.1719
Leishmania major	malate dehydrogenase, putative	0.0022	0.1719	0.0219
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0021	0.1534	0.8923

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay	ChEMBL.	25037916
IC50 (binding)	> 100 uM	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay	ChEMBL.	25037916

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: CHEMBL3318480

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 921731