Detailed information for compound 338525

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  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

1 literature reference was collected for this gene.

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