Detailed information for compound 949573

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.448 | Formula: C23H17NO8S
  • H donors: 2 H acceptors: 8 LogP: 3.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)O)S(=O)(=O)c1ccccc1)C(=O)O
  • InChi: 1S/C23H17NO8S/c1-2-6-13-20-15(9-14-17(25)11-18(23(28)29)32-21(13)14)19(10-16(24-20)22(26)27)33(30,31)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,26,27)(H,28,29)
  • InChiKey: SMSHMPOQDMPODO-UHFFFAOYSA-N  


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
Schistosoma mansoni zinc finger protein 0.0017 0.0439 0.1001
Brugia malayi nuclear hormone receptor 0.001 0.013 0.0148
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0378 0.1353
Schistosoma mansoni thyroid hormone receptor 0.001 0.013 0.0296
Loa Loa (eye worm) hypothetical protein 0.001 0.0125 0.0143
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0125 0.0447
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.013 0.0465
Loa Loa (eye worm) hypothetical protein 0.001 0.0125 0.0143
Schistosoma mansoni hypothetical protein 0.0048 0.1863 0.4249
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2791 0.6367
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.013 0.0465
Echinococcus granulosus tar DNA binding protein 0.0069 0.2791 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.013 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.013 0.0148
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0794 0.2843
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0125 0.0447
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0378 0.8602
Loa Loa (eye worm) hypothetical protein 0.0104 0.4384 0.5012
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2791 0.6367
Brugia malayi hypothetical protein 0.001 0.0125 0.0143
Brugia malayi Bromodomain containing protein 0.0082 0.3362 0.3843
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.013 0.0148
Onchocerca volvulus 0.001 0.013 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.013 0.0148
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0555 0.0634
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0941 0.3372
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0196 0.8529 0.8529
Brugia malayi Bromodomain containing protein 0.0042 0.1565 0.1789
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.013 0.0296
Loa Loa (eye worm) hypothetical protein 0.0046 0.1778 0.2032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.013 0.0148
Echinococcus multilocularis GPCR, family 2 0.0048 0.1863 0.6673
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0125 0.0447
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.013 0.0465
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.013 0.0465
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.013 0.0465
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2791 0.6367
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1451 0.5199
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0378 0.0861
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0378 0.2923
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.013 0.0296
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.013 0.0465
Schistosoma mansoni dep domain containing protein 0.001 0.0125 0.0285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0989 0.3544
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.8748 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.013 0.0465
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.013 0.0148
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0989 0.2256
Schistosoma mansoni hypothetical protein 0.0104 0.4384 1
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1863 0.2129
Echinococcus granulosus GPCR family 2 0.0048 0.1863 0.6673
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.013 0.0465
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0125 0.0143
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0125 0.0285
Schistosoma mansoni hypothetical protein 0.0048 0.1863 0.4249
Loa Loa (eye worm) hypothetical protein 0.0196 0.8529 0.9749
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2791 0.6367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.013 0.0148
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0378 0.0432
Echinococcus granulosus zinc finger protein 0.0021 0.0648 0.2323
Entamoeba histolytica hypothetical protein 0.0039 0.1451 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0125 0.0143
Schistosoma mansoni zinc finger protein 0.0021 0.0648 0.1479
Entamoeba histolytica hypothetical protein 0.0039 0.1451 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0648 0.2323
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2791 0.3191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.013 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.013 0.0148
Brugia malayi hypothetical protein 0.001 0.0125 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.013 0.0148
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.013 0.0148
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0125 0.0447
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0125 0.0285
Brugia malayi DIX domain containing protein 0.001 0.0125 0.0143
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.013 0.0148
Brugia malayi ecdysteroid receptor 0.001 0.013 0.0148
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.013 0.0465
Brugia malayi hypothetical protein 0.0039 0.1451 0.1659
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Plasmodium vivax SET domain protein, putative 0.0029 0.0989 1
Entamoeba histolytica hypothetical protein 0.0039 0.1451 1
Trypanosoma cruzi ISWI complex protein 0.0017 0.0439 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0989 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.013 0.0296
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0378 0.1353
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.013 0.0296
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2791 1
Brugia malayi nuclear receptor NHR-88 0.001 0.013 0.0148
Schistosoma mansoni coup transcription factor 0.001 0.013 0.0296
Schistosoma mansoni hypothetical protein 0.0048 0.1863 0.4249
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0125 0.0143
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0378 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1824 0.6535
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0125 0.0447
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.013 0.0148
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0125 0.0125
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0125 0.0143
Trichomonas vaginalis set domain proteins, putative 0.0229 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.013 0.0148
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.013 0.0465
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.013 0.0148
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2791 0.3191
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1863 0.2129
Brugia malayi isocitrate dehydrogenase 0.0015 0.0378 0.0432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.013 0.0148
Schistosoma mansoni thyroid hormone receptor 0.001 0.013 0.0296
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1863 0.6673
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.013 0.0465
Onchocerca volvulus Bile acid receptor homolog 0.001 0.013 0.013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.2613 0.9361
Brugia malayi TAR-binding protein 0.0069 0.2791 0.3191
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Onchocerca volvulus 0.0029 0.0989 0.0989
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.013 0.0148
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1824 0.6535
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.013 0.013
Schistosoma mansoni dishevelled 0.001 0.0125 0.0285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.013 0.0148
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0378 0.1353
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.013 0.0296
Loa Loa (eye worm) hypothetical protein 0.0077 0.3153 0.3603
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.013 0.0465
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0125 0.0143
Loa Loa (eye worm) RNA binding protein 0.0069 0.2791 0.3191
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.013 0.0296
Trypanosoma cruzi ISWI complex protein 0.0017 0.0439 1
Schistosoma mansoni hypothetical protein 0.0022 0.07 0.1597
Entamoeba histolytica hypothetical protein 0.0039 0.1451 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.6557 0.7495
Brugia malayi RNA binding protein 0.0069 0.2791 0.3191
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.1449 0.5192
Brugia malayi Pre-SET motif family protein 0.0201 0.8748 1
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.013 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1824 0.416
Schistosoma mansoni nuclear hormone receptor 0.001 0.013 0.0296
Leishmania major hypothetical protein, conserved 0.0017 0.0439 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.013 0.0296
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0525 0.188
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2791 0.6367
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0378 0.8602
Echinococcus multilocularis FTZ F1 alpha 0.001 0.013 0.0465
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.4384 0.5012
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.013 0.0296
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0125 0.0447
Schistosoma mansoni hypothetical protein 0.0039 0.1451 0.331
Loa Loa (eye worm) hypothetical protein 0.0048 0.1863 0.2129
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0989 0.2256
Schistosoma mansoni dishevelled 0.001 0.0125 0.0285
Loa Loa (eye worm) hypothetical protein 0.0153 0.6557 0.7495
Brugia malayi PHD-finger family protein 0.0027 0.091 0.104
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0125 0.0447
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2791 0.3191
Schistosoma mansoni bromodomain containing protein 0.0069 0.2788 0.6359
Loa Loa (eye worm) hypothetical protein 0.0044 0.1684 0.1925
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.013 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.013 0.0148
Loa Loa (eye worm) hypothetical protein 0.0047 0.1824 0.2085
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.6557 0.7495
Schistosoma mansoni hypothetical protein 0.0017 0.0439 0.1001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.2613 0.9361
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.013 0.0465
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0125 0.0447
Loa Loa (eye worm) hypothetical protein 0.001 0.0125 0.0143
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1824 0.416
Schistosoma mansoni regulator of G protein signaling 0.001 0.0125 0.0285
Brugia malayi Steroid receptor seven-up type 2 0.001 0.013 0.0148
Onchocerca volvulus 0.001 0.0125 0.0125
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0525 0.1197
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0794 0.181
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0378 0.0432
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1863 0.6673
Brugia malayi Pre-SET motif family protein 0.0029 0.0989 0.1131
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0378 0.1353
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1451 0.5199
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1863 0.6673
Brugia malayi N-terminal motif family protein 0.0196 0.8529 0.9749
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1863 0.6673
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.6557 0.7495
Trypanosoma brucei ISWI complex protein 0.0017 0.0439 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.013 0.013
Schistosoma mansoni hypothetical protein 0.0048 0.1863 0.4249
Brugia malayi steroid hormone receptor 0.001 0.013 0.0148
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.07 0.08
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0378 0.1353
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1863 0.2129
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.013 0.0148
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0525 0.188
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0378 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.1569 0.1793
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.013 0.0296
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.013 0.0465
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1451 0.331
Echinococcus granulosus FTZ F1 alpha 0.001 0.013 0.0465
Loa Loa (eye worm) hypothetical protein 0.001 0.013 0.0148
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0378 0.2923
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.013 0.0148
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0125 0.0447
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0378 0.1353
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0794 0.2843
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.013 0.0148
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0125 0.0447
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.1449 0.5192
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.013 0.0465
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0525 0.1197

Activities

No activities found for this compound.

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

No literature references available for this target.

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