Detailed information for compound 646355

Basic information

Technical information
  • TDR Targets ID: 646355
  • Name: N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-y lpropan-2-yl)methanesulfonamide
  • MW: 326.411 | Formula: C15H22N2O4S
  • H donors: 0 H acceptors: 3 LogP: 1.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)C)C(C(=O)N1CCCC1)C
  • InChi: 1S/C15H22N2O4S/c1-12(15(18)16-10-4-5-11-16)17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
  • InChiKey: YRZHSNNBXOZQRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-N-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
  • N-(4-methoxyphenyl)-N-(1-methyl-2-oxo-2-1-pyrrolidinylethyl)methanesulfonamide
  • N-(2-keto-1-methyl-2-pyrrolidin-1-yl-ethyl)-N-(4-methoxyphenyl)methanesulfonamide
  • N-(4-methoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-yl-propan-2-yl)methanesulfonamide
  • Oprea1_123362
  • BAS 02206782
  • Oprea1_742095

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
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0495 0.0406
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1798 0.2275
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0495 0.1033
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0495 1
Brugia malayi glutathione reductase 0.0047 0.1845 0.1668
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1798 0.2275
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0495 0.1033
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0495 0.1033
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Brugia malayi Thioredoxin reductase 0.0047 0.1845 0.1668
Schistosoma mansoni hypothetical protein 0.0168 0.7182 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0495 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.5017 1
Brugia malayi hypothetical protein 0.0025 0.0892 0.0694
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.5017 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.1845 0.1668
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0892 0.3667
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0495 0.1033
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0495 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0495 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.4492 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1798 0.2275
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1798 0.162
Entamoeba histolytica recQ family helicase, putative 0.0013 0.034 1
Treponema pallidum NADH oxidase 0.0016 0.0495 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0701 0.2991
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0892 0.3667
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0828 0.0629
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0495 0.005
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1845 0.1668
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.4492 0.8837
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0305 0.0095
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0495 0.3185
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0828 1
Leishmania major hypothetical protein, conserved 0.0025 0.0892 0.3667
Echinococcus multilocularis geminin 0.0168 0.7182 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0892 0.3667
Loa Loa (eye worm) hypothetical protein 0.0025 0.0892 0.0694
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0495 0.3185
Plasmodium falciparum thioredoxin reductase 0.0047 0.1845 1
Schistosoma mansoni hypothetical protein 0.0011 0.0278 0.0095
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0495 0.0289
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.4492 0.8837
Trypanosoma brucei trypanothione reductase 0.0047 0.1845 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0495 0.1033
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0892 0.4161
Plasmodium falciparum thioredoxin reductase 0.0016 0.0495 0.1733
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0495 0.1033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1798 0.2275
Loa Loa (eye worm) RecQ helicase 0.0024 0.0828 0.0629
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0495 0.5
Schistosoma mansoni hypothetical protein 0.0168 0.7182 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0495 0.005
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0495 0.0406
Loa Loa (eye worm) hypothetical protein 0.012 0.5058 0.4951
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0892 0.4833
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1798 0.162
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0607 0.0567
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0495 0.1733
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1845 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0892 0.4161
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1798 0.2275
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0495 0.2684
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0495 0.1033
Mycobacterium tuberculosis Probable reductase 0.0107 0.4492 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.5017 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0495 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0495 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0892 0.2972
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0212 0.115
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.4492 0.8837
Leishmania major trypanothione reductase 0.0047 0.1845 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1845 0.2343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1798 0.2275
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.4492 0.8837
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0828 0.0884
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0305 0.0095
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1845 0.2343
Plasmodium falciparum glutathione reductase 0.0016 0.0495 0.1733
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0828 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0495 0.1033
Plasmodium vivax glutathione reductase, putative 0.0047 0.1845 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0278 0.0095
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1845 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0278 0.0095
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0495 0.1733
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0495 0.0406
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0495 0.1033
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0212 0.115
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1845 0.2985
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0495 0.1033
Brugia malayi hypothetical protein 0.0016 0.0497 0.0291
Echinococcus granulosus geminin 0.0168 0.7182 1
Plasmodium falciparum glutathione reductase 0.0047 0.1845 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0495 0.2684
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1798 0.2275
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.048 0.2602
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.5017 1
Echinococcus granulosus bloom syndrome protein 0.0024 0.0828 0.0884
Toxoplasma gondii thioredoxin reductase 0.0047 0.1845 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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