TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.181 | Formula: C14H16Cl2O3
H donors: 1 H acceptors: 1 LogP: 3.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1C[C@@H](O)C[C@H](O1)/C=C/c1ccc(cc1Cl)Cl
InChi: 1S/C14H16Cl2O3/c1-18-14-8-11(17)7-12(19-14)5-3-9-2-4-10(15)6-13(9)16/h2-6,11-12,14,17H,7-8H2,1H3/b5-3+/t11-,12?,14+/m1/s1
InChiKey: NCYNYQHOYVEKHC-XSJULPIMSA-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

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	glutamate-cysteine ligase modifier subunit	0.0486	0.2879	0.2853
Mycobacterium tuberculosis	Probable oxidoreductase	0.1677	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0478	0.2833	0.2815
Echinococcus granulosus	aldehyde reductase	0.1192	0.7096	0.7089
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.1677	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Mycobacterium tuberculosis	Conserved protein	0.0486	0.2879	0.2583
Echinococcus granulosus	aldo keto reductase	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0486	0.2879	0.2852
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0188	0.0183
Onchocerca volvulus		0.1677	1	1
Giardia lamblia	Aldose reductase	0.1677	1	1
Trichomonas vaginalis	helicase, putative	0.0008	0.0021	0.0021
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0486	0.2879	1
Echinococcus multilocularis	aldo keto reductase	0.1677	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0486	0.2879	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0401	0.0397
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0021	0.0021
Mycobacterium ulcerans	oxidoreductase	0.1677	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0025	0.0021
Schistosoma mansoni	aldo-keto reductase	0.1677	1	1
Trypanosoma brucei	prostaglandin f synthase	0.1677	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Entamoeba histolytica	aldose reductase, putative	0.1677	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0375	0.2214	0.2184
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1677	1	1
Toxoplasma gondii	aldose reductase, putative	0.1677	1	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0486	0.2879	0.0855
Schistosoma mansoni	aldo-keto reductase	0.1677	1	1
Onchocerca volvulus		0.0486	0.2879	0.2751
Trichomonas vaginalis	aldo/keto reductase, putative	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0486	0.2879	0.2879
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Trypanosoma cruzi	aldo/keto reductase, putative	0.1677	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0486	0.2879	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.04	0.0396
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Schistosoma mansoni	cpg binding protein	0.0034	0.0176	0.0172
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0486	0.2879	0.2861
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0038	0.0012
Echinococcus multilocularis	microtubule associated protein 2	0.0807	0.4796	0.4783
Loa Loa (eye worm)	oxidoreductase	0.1677	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0541	0.3206	0.3189
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0486	0.2879	0.0855
Loa Loa (eye worm)	oxidoreductase	0.1677	1	1
Onchocerca volvulus		0.1677	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.1677	1	1
Echinococcus granulosus	dnaJ subfamily B	0.0478	0.2833	0.2815
Loa Loa (eye worm)	oxidoreductase	0.1677	1	1
Mycobacterium ulcerans	hypothetical protein	0.0486	0.2879	0.2583
Brugia malayi	N-myristoyltransferase 2	0.0375	0.2214	0.2185
Echinococcus multilocularis	cpg binding protein	0.0035	0.0188	0.0163
Echinococcus multilocularis	aldo keto reductase	0.1677	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0486	0.2879	0.2861
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0486	0.2879	0.2583
Schistosoma mansoni	potassium channel beta	0.0486	0.2879	0.2876
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Schistosoma mansoni	N-myristoyltransferase	0.0375	0.2214	0.221
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0038	0.0012
Onchocerca volvulus		0.1677	1	1
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0246	0.1446	0.1446
Echinococcus granulosus	microtubule associated protein 2	0.0807	0.4796	0.4783
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Leishmania major	aldo-keto reductase-like protein	0.1677	1	1
Loa Loa (eye worm)	oxidoreductase	0.1677	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0541	0.3206	0.3189
Loa Loa (eye worm)	oxidoreductase	0.1677	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Onchocerca volvulus		0.1677	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0486	0.2879	0.0855
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0486	0.2879	0.2617
Onchocerca volvulus		0.1677	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Echinococcus multilocularis	aldo keto reductase	0.1677	1	1
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0375	0.2214	0.2194
Trichomonas vaginalis	aldo-keto reductase, putative	0.0486	0.2879	0.2879
Trichomonas vaginalis	aldo/keto reductase, putative	0.1677	1	1
Echinococcus granulosus	neuropeptide s receptor	0.0541	0.3206	0.3189
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.04	0.0046
Mycobacterium leprae	Conserved hypothetical protein	0.1192	0.7096	0.5922
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0375	0.2214	0.2194
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Echinococcus granulosus	hypothetical protein	0.1677	1	1
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0176	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Onchocerca volvulus		0.1677	1	1
Toxoplasma gondii	aldo-keto reductase	0.0486	0.2879	0.2617
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0375	0.2214	0.2214
Entamoeba histolytica	aldose reductase, putative	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Schistosoma mansoni	pol-related	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Entamoeba histolytica	aldose reductase, putative	0.1677	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Echinococcus multilocularis	aldo keto reductase	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Echinococcus granulosus	aldo keto reductase	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1677	1	1
Trypanosoma cruzi	aldo-keto reductase	0.1677	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.1677	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0021	0.0021
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0021	0.0021
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Giardia lamblia	Aldose reductase	0.1677	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.04	0.0375
Brugia malayi	NADH-dependent xylose reductase	0.0486	0.2879	0.2853
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0486	0.2879	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Echinococcus multilocularis	aldehyde reductase	0.1192	0.7096	0.7089
Schistosoma mansoni	cpg binding protein	0.0035	0.0188	0.0183
Echinococcus granulosus	voltage gated potassium channel subunit	0.0486	0.2879	0.2861
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0486	0.2879	0.2879
Leishmania major	prostaglandin f synthase, putative	0.1677	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1677	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0541	0.3206	0.3189
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1677	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.04	0.0396
Loa Loa (eye worm)	hypothetical protein	0.1677	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1677	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1677	1	1
Leishmania major	N-myristoyl transferase, putative	0.0375	0.2214	0.1889
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0807	0.4796	0.4794
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0021	0.0021
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0176	0.0139
Echinococcus granulosus	aldo keto reductase	0.1677	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0486	0.2879	0.2879
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1677	1	1
Schistosoma mansoni	hypothetical protein	0.0478	0.2833	0.283
Trypanosoma cruzi	aldo/keto reductase, putative	0.0486	0.2879	0.0855
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.04	0.0375
Trichomonas vaginalis	aldo/keto reductase, putative	0.1677	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0486	0.2879	0.2617
Trichomonas vaginalis	conserved hypothetical protein	0.0486	0.2879	0.2879
Echinococcus granulosus	cpg binding protein	0.0035	0.0188	0.0163

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 0 %	Inhibitory activity against partially purified rat liver HMG CoA reductase at 2 ug/ml concentration	ChEMBL.	3973903
Inhibition (binding)	= 0 %	Inhibitory activity against partially purified rat liver HMG CoA reductase at 4 ug/ml concentration	ChEMBL.	3973903
Inhibition (binding)	= 0 %	Inhibition of partially purified rat liver HMG CoA reductase at 10 ug/ml concentration	ChEMBL.	3973903
Inhibition (binding)	= 6 %	Inhibitory activity of the compound against partially purified rat liver HMG CoA reductase at 8 ug/ml concentration	ChEMBL.	3973903

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: 296779

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 208833