Detailed information for compound 1018039

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.421 | Formula: C22H14N2O6S
  • H donors: 3 H acceptors: 5 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(cc1)C(=O)O)Nc1cccc(c1)C(=O)O
  • InChi: 1S/C22H14N2O6S/c25-19-18(31-22(24-19)23-15-3-1-2-14(10-15)21(28)29)11-16-8-9-17(30-16)12-4-6-13(7-5-12)20(26)27/h1-11H,(H,26,27)(H,28,29)(H,23,24,25)/b18-11-
  • InChiKey: XVWCAOUMDSZQPB-WQRHYEAKSA-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 family S9 non-peptidase homologue (S09 family) 0.0132 0.4187 0.4146
Echinococcus multilocularis acetylcholinesterase 0.0132 0.4187 0.6657
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.2011 0.2708
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0168 0.0099
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.1103 0.104
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0277 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0179 0.0176
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0168 0.0099
Loa Loa (eye worm) hypothetical protein 0.0132 0.4187 0.5639
Brugia malayi Fli-1 protein 0.0221 0.7425 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1345 0.1284
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0277 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0179 0.011
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0671 0.0971
Loa Loa (eye worm) hypothetical protein 0.0071 0.1948 0.2624
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0168 0.0159
Brugia malayi Ets-domain containing protein 0.0073 0.2011 0.2539
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1345 0.2062
Loa Loa (eye worm) carboxylesterase 0.0132 0.4187 0.5639
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.6254 1
Echinococcus granulosus carboxylesterase 5A 0.0132 0.4187 0.6657
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.1103 0.167
Loa Loa (eye worm) hypothetical protein 0.0054 0.1345 0.1812
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1544 0.2383
Brugia malayi mbt repeat family protein 0.0048 0.1103 0.1288
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0277 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.1236
Brugia malayi hypothetical protein 0.0025 0.0277 0.015
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0168 0.0159
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0168 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0168 0.0099
Brugia malayi Carboxylesterase family protein 0.0132 0.4187 0.5538
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1103 0.104
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0168 0.0099
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0168 0.0159
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0277 0.5
Loa Loa (eye worm) carboxylesterase 0.0022 0.0168 0.0227
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0168 0.0159
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1345 0.2062
Echinococcus granulosus acetylcholinesterase 0.0132 0.4187 0.6657
Schistosoma mansoni gabp alpha 0.0073 0.2011 0.1954
Mycobacterium tuberculosis Carboxylesterase LipT 0.0022 0.0168 0.5
Echinococcus multilocularis acetylcholinesterase 0.0132 0.4187 0.6657
Loa Loa (eye worm) hypothetical protein 0.0062 0.1625 0.2188
Echinococcus multilocularis carboxylesterase 5A 0.0132 0.4187 0.6657
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.2011 0.3138
Brugia malayi Ets-domain containing protein 0.0073 0.2011 0.2539
Brugia malayi Bromodomain containing protein 0.0038 0.0758 0.0812
Brugia malayi Carboxylesterase family protein 0.0132 0.4187 0.5538
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.0168 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0168 0.0159
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.1103 0.167
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1103 0.104
Loa Loa (eye worm) hypothetical protein 0.0039 0.076 0.1024
Loa Loa (eye worm) acetylcholinesterase 1 0.0132 0.4187 0.5639
Loa Loa (eye worm) hypothetical protein 0.0025 0.0277 0.0373
Schistosoma mansoni ets-related 0.0221 0.7425 0.7407
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1345 0.2062
Loa Loa (eye worm) hypothetical protein 0.0048 0.1103 0.1485
Brugia malayi mbt repeat family protein 0.0048 0.1103 0.1288
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0168 0.0159
Brugia malayi Bromodomain containing protein 0.0075 0.2105 0.2669
Loa Loa (eye worm) hypothetical protein 0.0041 0.0847 0.1141
Loa Loa (eye worm) MBCTL1 0.0054 0.1345 0.1812
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0671 0.0971
Loa Loa (eye worm) fli-1 protein 0.0221 0.7425 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Schistosoma mansoni hypothetical protein 0.0021 0.0109 0.0039
Echinococcus multilocularis neuroligin 0.0022 0.0168 0.0159
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0168 0.0099
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.2011 0.3138
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1345 0.2062
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0109 0.0147
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.1103 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0277 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.0168 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.1103 0.1485
Echinococcus granulosus neuroligin 0.0022 0.0168 0.0159
Echinococcus granulosus acetylcholinesterase 0.0132 0.4187 0.6657
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1544 0.2383
Brugia malayi PHD-finger family protein 0.0025 0.0266 0.0135
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0277 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0022 0.0168 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Schistosoma mansoni gliotactin 0.0022 0.0168 0.0099
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.1103 0.167
Schistosoma mansoni bromodomain containing protein 0.0064 0.1675 0.1616
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0277 0.5
Schistosoma mansoni acetylcholinesterase 0.0022 0.0168 0.0099
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0168 0.5
Loa Loa (eye worm) carboxylesterase 0.0022 0.0168 0.0227
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0179 0.0176
Leishmania major hypothetical protein, conserved 0.0025 0.0277 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.1103 0.167
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227
Loa Loa (eye worm) hypothetical protein 0.0132 0.4187 0.5639
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.6254 1
Onchocerca volvulus 0.0048 0.1103 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1345 0.1622
Loa Loa (eye worm) hypothetical protein 0.0022 0.0168 0.0227

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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