TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.129 | Formula: C19H15BrCl2O5
H donors: 2 H acceptors: 3 LogP: 6.54 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C/C=C(/c1c2Oc3c(Cl)c(O)c(c(c3C(=O)Oc2c(c(c1Br)O)C)C)Cl)\C
InChi: 1S/C19H15BrCl2O5/c1-5-6(2)9-11(20)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)12(21)15(24)13(17)22/h5,23-24H,1-4H3/b6-5+
InChiKey: SZTOZHDEOFURHU-AATRIKPKSA-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
Echinococcus granulosus	single minded 2	0.0042	0.0871	0.0821
Echinococcus multilocularis	tumor protein p63	0.0329	0.7486	0.7473
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase beta 2 subunit, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0871	0.0871
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0871	0.0871
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0055	0.0546
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate cyclase type VI, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.0871	0.0821
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Onchocerca volvulus		0.0421	0.9621	1
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0421	0.9621	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0055	0.0546
Schistosoma mansoni	hypothetical protein	0.0438	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.1242	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0115	0.0739
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0431	0.4609
Onchocerca volvulus		0.0048	0.1009	0.0998
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0431	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0431	0.0393
Trichomonas vaginalis	helicase, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0055	0.0546
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0055	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0431	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0431	0.0393
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0074	0.002
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0431	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylyl cyclase type V, putative	0.0042	0.0871	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1009	0.0998
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0296	0.6421
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0055	0.0546
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0118	0.0066
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0871	1
Echinococcus multilocularis	dnaJ subfamily B	0.0438	1	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0074	0.002
Trichomonas vaginalis	adenylate cyclase type vIII, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0296	0.0252
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	intestinal guanylate cyclase, putative	0.0042	0.0871	1
Echinococcus granulosus	tumor protein p63	0.0329	0.7486	0.7473
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0431	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0431	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0296	0.0252
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.002
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0431	0.4609
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.0871	0.0821
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.002
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0431	0.4609
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0871	0.0871
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0431	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0431	0.0393
Echinococcus granulosus	cpg binding protein	0.0032	0.0648	0.0597
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0431	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0871	0.0871
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0431	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0055	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0871	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0055	0.0055
Echinococcus multilocularis	voltage gated potassium channel	0.0042	0.0871	0.0821
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0055	0.0546
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0055	0.0546
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0431	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0296	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0871	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.0054
Schistosoma mansoni	cpg binding protein	0.0032	0.0648	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0296	0.0252
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0274	0.6071
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	hypothetical protein	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0431	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0431	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0608	0.6776
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0055	0.0546
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1403	0.1403
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0296	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0055	0.0546
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0608	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0296	0.0252
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0063
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0871	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0055	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0871	1
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0296	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0274	0.6071
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0871	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0648	0.0648
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0431	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0074	0.0074
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0431	1
Echinococcus multilocularis	cpg binding protein	0.0032	0.0648	0.0597
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1009	0.1009
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0431	1
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0296	0.6617
Onchocerca volvulus		0.0031	0.0608	0.0578
Onchocerca volvulus		0.0023	0.0431	0.0393
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0063
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0274	0.6071
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.0054
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0871	0.0871
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0871	1
Schistosoma mansoni	60S ribosomal protein L21	0.0042	0.0871	0.0871
Echinococcus granulosus	voltage gated potassium channel	0.0042	0.0871	0.0821
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0431	0.4609
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0055	0.0546
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0431	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0055	0.0546
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0431	0.4609
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0871	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0431	1
Mycobacterium leprae	Possible transporter protein	0.0042	0.0871	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0871	1
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0042	0.0871	1
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0045	0.0937	1
Trichomonas vaginalis	guanylate cyclase beta 1 subunit, putative	0.0042	0.0871	1
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0871	0.0871
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0042	0.0871	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0871	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0055	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0296	0.0252
Schistosoma mansoni	cpg binding protein	0.0031	0.0608	0.0608
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0871	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0871	0.0853
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0274	0.6071
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0054
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0055	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 25.69 uM	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production incubated for 15 mins prior to LPS challenge measured after 20 hrs by Griess assay	ChEMBL.	24016057

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: CHEMBL2426305

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1789019