Detailed information for compound 14151

Basic information

Technical information
  • TDR Targets ID: 14151
  • Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methane sulfonamido)-2-methoxybenzamide
  • MW: 355.452 | Formula: C16H25N3O4S
  • H donors: 2 H acceptors: 3 LogP: 1.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCCC1CNC(=O)c1cc(ccc1OC)NS(=O)(=O)C
  • InChi: 1S/C16H25N3O4S/c1-4-19-9-5-6-13(19)11-17-16(20)14-10-12(18-24(3,21)22)7-8-15(14)23-2/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,17,20)
  • InChiKey: SCWBHWCAKIVLQO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-benzamide
  • N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(methylsulfonylamino)benzamide
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methanesulfonamido-2-methoxybenzamide
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methanesulfonamido-2-methoxy-benzamide
  • N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methanesulfonamido-2-methoxybenzamide
  • 68255-83-4
  • BRN 0495375
  • Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-((methylsulfonyl)amino)-
  • N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-((methylsulfonyl)amino)benzamide

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 dihydrofolate reductase 0.0697 0.0536 0.056
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.8994 1 1
Trypanosoma brucei deoxyuridine triphosphatase, putative 0.0388 0.0183 0.0183
Trypanosoma brucei thymidylate kinase, putative 0.0378 0.0172 0.0172
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.8994 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.8628 0.9583 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.8628 0.9583 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.4105 0.4423 0.4398
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.8994 1 1
Schistosoma mansoni thymidylate kinase 0.0378 0.0172 0.0179
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYX (TS) (TSase) 0.4824 0.5243 0.5388
Trichomonas vaginalis conserved hypothetical protein 0.4105 0.4423 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0378 0.0172 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0378 0.0172 0.0292
Schistosoma mansoni hypothetical protein 0.0378 0.0172 0.0179
Onchocerca volvulus 0.8628 0.9583 1
Entamoeba histolytica Thymidylate kinase, putative 0.0378 0.0172 1
Trichomonas vaginalis thymidylate kinase, putative 0.0378 0.0172 0.0292
Trypanosoma brucei thymidylate kinase, putative 0.0378 0.0172 0.0172
Schistosoma mansoni thymidylate kinase 0.0378 0.0172 0.0179
Loa Loa (eye worm) thymidylate synthase 0.8628 0.9583 1
Echinococcus granulosus thymidylate synthase 0.8628 0.9583 1
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.4824 0.5243 0.5388
Leishmania major deoxyuridine triphosphatase, putative,dUTP diphosphatase 0.0388 0.0183 0.014
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0388 0.0183 0.014
Echinococcus granulosus dihydrofolate reductase 0.0697 0.0536 0.0387
Brugia malayi dihydrofolate reductase family protein 0.0697 0.0536 0.0387
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.4824 0.5243 0.5388
Treponema pallidum thymidylate kinase (tmk) 0.0378 0.0172 0.5
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0697 0.0536 0.0387
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.8628 0.9583 1
Leishmania major thymidylate kinase-like protein 0.0378 0.0172 0.0128
Echinococcus multilocularis thymidylate synthase 0.8628 0.9583 1
Chlamydia trachomatis dihydrofolate reductase 0.0697 0.0536 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.8994 1 1
Mycobacterium tuberculosis Hypothetical protein 0.4105 0.4423 0.4517
Giardia lamblia CDC8 0.0378 0.0172 1
Trypanosoma cruzi thymidylate kinase, putative 0.0378 0.0172 0.0128
Brugia malayi hypothetical protein 0.4105 0.4423 0.4517
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0697 0.0536 0.0387
Brugia malayi thymidylate synthase 0.8628 0.9583 1
Echinococcus multilocularis dihydrofolate reductase 0.0697 0.0536 0.0387
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0388 0.0183 0.014
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0697 0.0536 0.0387
Trypanosoma cruzi thymidylate kinase, putative 0.0378 0.0172 0.0128
Mycobacterium ulcerans thymidylate synthase 0.8628 0.9583 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.8994 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0697 0.0536 0.0387
Brugia malayi Dihydrofolate reductase 0.0697 0.0536 0.0387
Trypanosoma brucei thymidine kinase 0.0266 0.0044 0.0044

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2 mg kg-1 Inhibition of apomorphine induced emesis in dogs following p.o. administration. ChEMBL. 6147414
ED50 (functional) > 50 mg kg-1 Inhibition of apomorphine induced climbing in mice following p.o. administration. ChEMBL. 6147414
ED50 (functional) > 50 mg kg-1 Inhibition of apomorphine induced climbing in mice following p.o. administration. ChEMBL. 6147414
LD50 (ADMET) > 500 mg kg-1 Toxicity in mice following p.o. administration. ChEMBL. 6147414
LD50 (ADMET) > 500 mg kg-1 Toxicity in mice following p.o. administration. ChEMBL. 6147414

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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