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

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)	= 2 %	Inhibitory activity against partially purified rat liver HMG CoA reductase at 4 ug/ml concentration	ChEMBL.	3973903
Inhibition (binding)	= 4 %	Inhibitory activity of the compound against partially purified rat liver HMG CoA reductase at 6 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: 295690

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 206026