Detailed information for compound 880745

Basic information

Technical information
  • TDR Targets ID: 880745
  • Name: methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphe nyl)sulfonylamino]benzoate
  • MW: 391.481 | Formula: C20H25NO5S
  • H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)NS(=O)(=O)c1c(C)c(C)c(c(c1C)C)C)OC
  • InChi: 1S/C20H25NO5S/c1-11-12(2)14(4)19(15(5)13(11)3)27(23,24)21-17-10-16(20(22)26-7)8-9-18(17)25-6/h8-10,21H,1-7H3
  • InChiKey: MVQHRTDJEHJFSF-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid methyl ester

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 0.0184 0.1574 0.2667
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0184 0.1574 0.2667
Toxoplasma gondii subtilisin SUB6 0.0041 0 0.5
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0184 0.1574 0.2667
Brugia malayi neuroendocrine convertase 1 precursor 0.0598 0.6118 0.6118
Plasmodium falciparum subtilisin-like protease 3 0.0041 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Toxoplasma gondii subtilisin SUB4 0.0041 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Schistosoma mansoni furin-1 (S08 family) 0.0414 0.4097 0.4097
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0041 0 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0041 0 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0041 0 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0225 0.2021 0.2021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0578 0.5903 0.7397
Onchocerca volvulus 0.0041 0 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Schistosoma mansoni hypothetical protein 0.0184 0.1574 0.1574
Echinococcus multilocularis neuroendocrine convertase 2 0.0598 0.6118 0.7668
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Brugia malayi celfurPC protein 0.0768 0.7979 0.7979
Loa Loa (eye worm) hypothetical protein 0.0952 1 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0041 0 0.5
Trypanosoma brucei subtilisin peptidase 0.0041 0 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0041 0 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0952 1 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0184 0.1574 0.2667
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0041 0 0.5
Echinococcus granulosus furin 0.0952 1 1
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0041 0 0.5
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0041 0 0.5
Toxoplasma gondii subtilisin SUB8 0.0041 0 0.5
Trypanosoma cruzi subtilisin peptidase 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0041 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0578 0.5903 1
Echinococcus granulosus neuroendocrine convertase 2 0.0598 0.6118 0.6118
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0041 0 0.5
Trichomonas vaginalis hypothetical protein 0.0184 0.1574 0.2667
Echinococcus granulosus Furin 1 0.0225 0.2021 0.2021
Plasmodium vivax subtilisin-like protease 2, putative 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Toxoplasma gondii subtilisin SUB1 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Mycobacterium leprae Possible secreted protease 0.0041 0 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0041 0 0.5
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0578 0.5903 0.5903
Toxoplasma gondii subtilisin SUB2 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Toxoplasma gondii subtilisin SUB10 0.0041 0 0.5
Toxoplasma gondii subtilisin SUB11 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Plasmodium falciparum subtilisin-like protease 2 0.0041 0 0.5
Leishmania major subtilisin-like serine peptidase 0.0041 0 0.5
Brugia malayi proprotein convertase 2 0.0598 0.6118 0.6118
Giardia lamblia High cysteine membrane protein Group 2 0.0354 0.3435 1
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0041 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0578 0.5903 1
Toxoplasma gondii subtilisin SUB9 0.0041 0 0.5
Toxoplasma gondii subtilisin SUB7 0.0041 0 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0952 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Plasmodium vivax subtilisin-like serine protease, putative 0.0041 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0225 0.2021 0.3423
Toxoplasma gondii subtilisin SUB5 0.0041 0 0.5
Echinococcus multilocularis Furin 1 0.0225 0.2021 0.2532
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Toxoplasma gondii subtilisin SUB12 0.0041 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667
Plasmodium vivax subtilisin-like protease 1 0.0041 0 0.5
Plasmodium falciparum subtilisin-like protease 1 0.0041 0 0.5
Loa Loa (eye worm) proprotein convertase 2 0.0225 0.2021 0.2021
Echinococcus multilocularis 0.0768 0.7979 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.3651 0.3651
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.1574 0.2667

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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