TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.993 | Formula: C5H7Cl2NO5P---
H donors: 0 H acceptors: 5 LogP: -1.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: ClC(C(=O)N(CCCP(=O)([O-])[O-])[O-])Cl
InChi: 1S/C5H9Cl2NO5P/c6-4(7)5(9)8(10)2-1-3-14(11,12)13/h4H,1-3H2,(H2,11,12,13)/q-1/p-2
InChiKey: GXYGDMZYYXGNJV-UHFFFAOYSA-L

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	Nuclear hormone receptor family member nhr-40	0.0011	0.0088	0.0112
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0088	0.0112
Schistosoma mansoni	ap endonuclease	0.0019	0.0249	0.0282
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0088	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Loa Loa (eye worm)	hypothetical protein	0.0197	0.3707	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0088	0.0049
Onchocerca volvulus		0.0011	0.0088	0.0126
Echinococcus multilocularis	cpg binding protein	0.0062	0.1093	0.1262
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0112	0.2054	0.2016
Plasmodium vivax	basic transcription factor 3b, putative	0.007	0.1242	0.1018
Schistosoma mansoni	hypothetical protein	0.0062	0.1091	0.1293
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0059	0.1027	0.2677
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0125	0.2314	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.0235	0.0226
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0088	0.0088
Schistosoma mansoni	hypothetical protein	0.0062	0.1091	0.1293
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0088	0.0112
Echinococcus granulosus	GPCR family 2	0.0062	0.1091	0.1259
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0088	0.0112
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0088	0.0088
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0175	0.3293	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0088	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1708	0.2035
Loa Loa (eye worm)	ICD-1 protein	0.007	0.1242	0.3264
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0165	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0088	0.0112
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0197	0.3707	1
Echinococcus granulosus	dnaJ subfamily B	0.0434	0.8332	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0062	0.1091	0.285
Schistosoma mansoni	ap endonuclease	0.0019	0.0249	0.0282
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0088	0.0088
Loa Loa (eye worm)	histone methyltransferase	0.0018	0.0235	0.0511
Leishmania major	basic transcription factor 3a, putative	0.007	0.1242	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0249	0.0552
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0088	0.0049
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0088	0.0049
Trichomonas vaginalis	hypothetical protein	0.0007	0.0019	0.0153
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0088	0.0049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0088	0.0112
Schistosoma mansoni	cpg binding protein	0.0062	0.1093	0.1296
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0088	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.1242	1
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0088	0.0126
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0249	0.0244
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0088	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0175	0.3293	0.8868
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.1242	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0088	0.0088
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0088	0.0088
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Trypanosoma cruzi	transcription factor btf3, putative	0.007	0.1242	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0088	0.0049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0088	0.0112
Schistosoma mansoni	hypothetical protein	0.0434	0.8332	1
Schistosoma mansoni	dishevelled	0.0009	0.0047	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0088	0.0049
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0249	0.2008
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.007	0.1242	0.1229
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1708	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2496	0.6691
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0088	0.0049
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0088	0.0112
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0088	0.0112
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0062	0.1091	0.1259
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1091	0.285
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Brugia malayi	N-terminal motif family protein	0.0175	0.3293	0.8868
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Schistosoma mansoni	hypothetical protein	0.0134	0.2496	0.2984
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0047	0.0039
Schistosoma mansoni	cpg binding protein	0.0062	0.1093	0.1296
Brugia malayi	nuclear hormone receptor	0.0011	0.0088	0.0112
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0088	0.0126
Schistosoma mansoni	dishevelled	0.0009	0.0047	0.0039
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0125	0.2314	0.2764
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0249	0.2008
Schistosoma mansoni	coup transcription factor	0.0011	0.0088	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.1242	1
Echinococcus multilocularis	dnaJ subfamily B	0.0434	0.8332	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Schistosoma mansoni	transcription factor btf3	0.007	0.1242	0.1475
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.1708	0.4536
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.1708	0.4536
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0088	0.0112
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0088	0.0088
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0165	0.0141
Toxoplasma gondii	exonuclease III APE	0.0019	0.0249	0.0203
Schistosoma mansoni	dep domain containing protein	0.0009	0.0047	0.0039
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0088	0.0112
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0088	0.0112
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0249	0.2008
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.052	1	0.5
Brugia malayi	beta-NAC-like protein	0.007	0.1242	0.3264
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1708	0.2004
Echinococcus granulosus	geminin	0.0336	0.6417	0.7688
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0088	0.0112
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0062	0.1091	0.1259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1708	0.2004
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0088	0.0049
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0088	0.0088
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.023	0.0499
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.014	0.1123
Brugia malayi	steroid hormone receptor	0.0011	0.0088	0.0112
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0249	0.2008
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0062	0.1091	0.285
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0088	0.0112
Echinococcus multilocularis	transcription factor btf3	0.007	0.1242	0.1442
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1708	0.2004
Echinococcus multilocularis	geminin	0.0336	0.6417	0.7688
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0062	0.1091	0.1259
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0165	0.0141
Schistosoma mansoni	hypothetical protein	0.0062	0.1091	0.1293
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0019	0.0153
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0165	0.0141
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0165	0.018
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0088	0.0112
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0088	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0088	0.0112
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0088	0.0049
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0088	0.0088
Brugia malayi	Latrophilin receptor protein 2	0.0062	0.1091	0.285
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1708	0.2004
Brugia malayi	CXXC zinc finger family protein	0.0059	0.1027	0.2677
Schistosoma mansoni	hypothetical protein	0.0062	0.1091	0.1293
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0249	0.0235
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1708	0.2035
Toxoplasma gondii	NAC domain-containing protein	0.007	0.1242	0.12
Schistosoma mansoni	hypothetical protein	0.0336	0.6417	0.7697
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0088	0.0049
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0249	0.2008
Brugia malayi	latrophilin 2 splice variant baaae	0.0134	0.2496	0.6691
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0088	0.0049
Trypanosoma cruzi	transcription factor btf3, putative	0.007	0.1242	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.014	0.1123
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0047	0.0039
Schistosoma mansoni	cpg binding protein	0.0059	0.1027	0.1217
Entamoeba histolytica	hypothetical protein	0.007	0.1242	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Onchocerca volvulus		0.0059	0.1027	0.3019
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0044	0.0035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0088	0.0049
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.0235	0.0226
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0249	0.0552
Echinococcus granulosus	transcription factor btf3	0.007	0.1242	0.1442
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0249	0.1911
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0088	0.0088
Schistosoma mansoni	hypothetical protein	0.0336	0.6417	0.7697
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0088	0.0112
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0088	0.0112
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0249	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0088	0.0112
Trypanosoma brucei	transcription factor BTF3, putative	0.007	0.1242	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0088	0.0112
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0047	0.0039
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0062	0.1091	0.1259
Echinococcus multilocularis	GPCR, family 2	0.0062	0.1091	0.1259
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0088	0.0049
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0197	0.3707	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0088	0.0049
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0088	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Trichomonas vaginalis	helicase, putative	0.0013	0.014	0.1123
Entamoeba histolytica	transcription factor BTF3, putative	0.007	0.1242	1
Brugia malayi	ecdysteroid receptor	0.0011	0.0088	0.0112
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0197	0.3707	1
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0088	0.0049
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.014	0.1123
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0088	0.0112
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0088	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0088	0.0112
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.014	0.1123
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0019	0.0153
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0088	0.0112
Echinococcus granulosus	cpg binding protein	0.0062	0.1093	0.1262
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0088	0.0088
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0249	0.0244
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0088	0.0049

Activities

Activity type	Activity value	Assay description	Source	Reference
Log IC50 (binding)	= 6.75	Inhibitory concentration against DOXP reductoisomerase	ChEMBL.	15887963

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: 422341

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 338525