Detailed information for compound 794343

Basic information

Technical information
  • TDR Targets ID: 794343
  • Name: ethyl 3-[(2-methoxy-5-methylphenyl)sulfonylam ino]-3-(4-methoxyphenyl)propanoate
  • MW: 407.481 | Formula: C20H25NO6S
  • H donors: 1 H acceptors: 3 LogP: 2.91 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC(c1ccc(cc1)OC)NS(=O)(=O)c1cc(C)ccc1OC
  • InChi: 1S/C20H25NO6S/c1-5-27-20(22)13-17(15-7-9-16(25-3)10-8-15)21-28(23,24)19-12-14(2)6-11-18(19)26-4/h6-12,17,21H,5,13H2,1-4H3
  • InChiKey: GFUJIADXUCHDBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
  • 3-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
  • 3-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-(4-methoxyphenyl)propionic acid ethyl ester
  • A2899/0122098

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 0.0007 0.001 0.0771
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.153 0.5997 0.5995
Entamoeba histolytica hypothetical protein 0.0025 0.0079 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.007 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Schistosoma mansoni cpg binding protein 0.0034 0.0115 0.0191
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0079 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0021 0.0027
Leishmania major importin beta-1 subunit, putative 0.0025 0.0079 0.0075
Echinococcus granulosus cpg binding protein 0.0034 0.0115 0.0184
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.007 0.0066
Echinococcus multilocularis cpg binding protein 0.0034 0.0115 0.0184
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0013 0.0014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0248 0.0414
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.022 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0102 0.0097
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0013 0.0014
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.007 0.3049
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.007 0.6744
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0102 0.0097
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.007 0.0066
Schistosoma mansoni vesicular acetylcholine transporter 0.153 0.5997 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0013 0.0022
Echinococcus granulosus vesicular acetylcholine transporter 0.153 0.5997 1
Plasmodium vivax importin-beta 2, putative 0.0031 0.0102 1
Plasmodium falciparum importin beta, putative 0.0031 0.0102 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.153 0.5997 1
Trichomonas vaginalis ran, putative 0.0022 0.007 0.8795
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.002 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.007 0.6744
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0102 0.4522
Loa Loa (eye worm) histone methyltransferase 0.001 0.0021 0.0016
Loa Loa (eye worm) hypothetical protein 0.1302 0.5102 0.51
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Leishmania major GTP-binding protein, putative 0.0022 0.007 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0079 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.007 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0102 0.0162
Leishmania major C-8 sterol isomerase-like protein 0.2548 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Schistosoma mansoni cpg binding protein 0.0034 0.0115 0.0191
Brugia malayi vesicular acetylcholine transporter unc-17 0.153 0.5997 0.5995
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Echinococcus granulosus importin subunit beta 1 0.0031 0.0102 0.0162
Loa Loa (eye worm) hypothetical protein 0.2548 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.001 0.0771
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Trichomonas vaginalis helicase, putative 0.0007 0.001 0.0771
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0079 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0102 0.0097
Echinococcus multilocularis vesicular acetylcholine transporter 0.153 0.5997 1
Schistosoma mansoni importin-beta 2 0.0006 0.0005 0.0008
Entamoeba histolytica Ran family GTPase 0.0022 0.007 0.8795
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.1264 0.126
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.001 0.0771
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2548 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.2548 1 1
Schistosoma mansoni hypothetical protein 0.0326 0.1264 0.2108
Schistosoma mansoni ran 0.0022 0.007 0.0117
Brugia malayi RNA, U transporter 1 0.0087 0.0323 0.0319
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.007 0.0066
Brugia malayi Importin beta-1 subunit 0.0031 0.0102 0.0097
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.001 0.0771
Schistosoma mansoni ran 0.0022 0.007 0.0117
Echinococcus granulosus snurportin 1 0.0326 0.1264 0.2101
Echinococcus multilocularis snurportin 1 0.0326 0.1264 0.2101
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0079 1
Schistosoma mansoni cpg binding protein 0.0032 0.0108 0.0179
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0021 0.0027
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.007 0.011
Schistosoma mansoni importin beta-1 0.0031 0.0102 0.017
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0108 0.0103
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0013 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.001 0.0771
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0013 0.0014
Brugia malayi CXXC zinc finger family protein 0.0032 0.0108 0.0103

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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