Detailed information for compound 714398

Basic information

Technical information
  • TDR Targets ID: 714398
  • Name: 2-[1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3- yl]sulfanylpyridine-3-carboxylic acid
  • MW: 324.352 | Formula: C14H16N2O5S
  • H donors: 1 H acceptors: 5 LogP: 0.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCN1C(=O)CC(C1=O)Sc1ncccc1C(=O)O
  • InChi: 1S/C14H16N2O5S/c1-21-7-3-6-16-11(17)8-10(13(16)18)22-12-9(14(19)20)4-2-5-15-12/h2,4-5,10H,3,6-8H2,1H3,(H,19,20)
  • InChiKey: NFGBPSRGWYWWAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-(3-methoxypropyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
  • 2-[[1-(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid
  • 2-[[2,5-diketo-1-(3-methoxypropyl)pyrrolidin-3-yl]thio]nicotinic acid
  • STOCK6S-27432

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 transcription factor LCR-F1 0.0038 0.0258 0.0569
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0136 0.1431 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0044 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0046 0.9984
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0021 0.0046 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0381 0.0894
Brugia malayi mbt repeat family protein 0.0049 0.0388 0.1017
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.1646 0.4313
Loa Loa (eye worm) hypothetical protein 0.005 0.04 0.0946
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3817 1
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3817 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1546 0.3981
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.04 1
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0388 0.0913
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.04 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0021 0.0046 0.0016
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0388 0.0913
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0381 0.0339
Schistosoma mansoni hypothetical protein 0.0049 0.0381 0.0894
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1546 0.3981
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0247 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.04 0.2572
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0044 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3817 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.04 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.1646 0.4247
Schistosoma mansoni topbp1 0.0021 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Echinococcus multilocularis replication factor c subunit 1 0.0021 0.0046 0.0002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0112 0.0182
Schistosoma mansoni topbp1 0.0021 0.0046 0.0006
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.04 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0223 0.5021
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.1546 0.405
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.04 1
Schistosoma mansoni hypothetical protein 0.0038 0.0258 0.0569
Leishmania major hypothetical protein, conserved 0.0026 0.0112 0.0496
Echinococcus multilocularis transcription factor Dp 1 0.0079 0.0742 0.0702
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0223 0.5021
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0046 0.9984
Loa Loa (eye worm) hypothetical protein 0.0156 0.1675 0.4324
Entamoeba histolytica hypothetical protein 0.0038 0.0258 0.1547
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0913
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0112 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.1546 0.3981
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0381 0.0894
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0136 0.1431 0.3677
Brugia malayi AMP-binding enzyme family protein 0.005 0.04 0.1049
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0381 0.0339
Echinococcus granulosus transcription factor Dp 1 0.0079 0.0742 0.1851
Loa Loa (eye worm) hypothetical protein 0.0038 0.0247 0.054
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3817 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0046 0.0016
Echinococcus multilocularis nibrin 0.0021 0.0046 0.0002
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0136 0.1431 0.3677
Onchocerca volvulus 0.005 0.04 0.2675
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0112 0.3304
Echinococcus granulosus nibrin 0.0021 0.0046 0.0006
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0247 0.5713
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0112 0.0496
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0046 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.1646 0.4247
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.04 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0136 0.1431 1
Entamoeba histolytica hypothetical protein 0.0038 0.0258 0.1547
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0046 0.9984
Loa Loa (eye worm) hypothetical protein 0.0038 0.0247 0.054
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0112 0.3304
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0381 0.0998
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1546 0.3981
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0258 0.0216
Loa Loa (eye worm) hypothetical protein 0.0038 0.0247 0.054
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.047 0.1131
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.04 0.2572
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0381 0.0894
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.04 1
Schistosoma mansoni hypothetical protein 0.0105 0.1061 0.2695
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.04 1
Schistosoma mansoni hypothetical protein 0.0299 0.34 0.8895
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.04 0.2572
Loa Loa (eye worm) hypothetical protein 0.005 0.04 0.0946
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1061 0.2779
Onchocerca volvulus 0.0049 0.0388 0.2582
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0388 0.0913
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0136 0.1431 1
Schistosoma mansoni hypothetical protein 0.018 0.1962 0.5084
Onchocerca volvulus Huntingtin homolog 0.0131 0.1372 1
Giardia lamblia Replication factor C, subunit 1 0.0021 0.0046 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0388 0.2582
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Echinococcus granulosus muscleblind protein 0.0156 0.1675 0.4324
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.04 0.2572
Toxoplasma gondii ATPase, AAA family protein 0.0021 0.0046 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1546 0.1509
Loa Loa (eye worm) RNA binding protein 0.0334 0.3817 1
Brugia malayi hypothetical protein 0.0026 0.0112 0.0295
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0112 0.3304
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.047 0.1232
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0334 0.3817 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1546 0.3981
Mycobacterium ulcerans hypothetical protein 0.005 0.04 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0388 0.0913
Trichomonas vaginalis replication factor C large subunit, putative 0.0021 0.0046 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0136 0.1431 0.3677
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0258 0.0569
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.047 0.0429
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0136 0.1431 0.1394
Brugia malayi hypothetical protein 0.0021 0.0046 0.012
Brugia malayi hypothetical protein 0.0021 0.0046 0.012
Brugia malayi hypothetical protein 0.0038 0.0258 0.0676
Loa Loa (eye worm) hypothetical protein 0.0049 0.0381 0.0894
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.047 0.1131
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.047 0.1131
Brugia malayi AMP-binding enzyme family protein 0.005 0.04 0.1049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0381 0.0894
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0046 0.0016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.1646 0.4313
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0046 0.9984
Loa Loa (eye worm) hypothetical protein 0.0038 0.0247 0.054
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0046 0.9984
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0046 0.9984
Schistosoma mansoni chromosome transmission fidelity factor 0.0021 0.0046 0.0006
Schistosoma mansoni hypothetical protein 0.018 0.1962 0.5084
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0381 0.0998
Loa Loa (eye worm) hypothetical protein 0.0105 0.1061 0.2695
Brugia malayi TAR-binding protein 0.0334 0.3817 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0021 0.0046 0.0016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0223 0.5021
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0388 0.0346
Echinococcus multilocularis muscleblind protein 1 0.0156 0.1675 0.1639
Echinococcus granulosus geminin 0.018 0.1962 0.5084
Brugia malayi AMP-binding enzyme family protein 0.005 0.04 0.1049
Entamoeba histolytica hypothetical protein 0.0038 0.0258 0.1547
Brugia malayi mbt repeat family protein 0.0049 0.0388 0.1017
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.04 0.2572
Brugia malayi Pax transcription activation domain interacting protein 0.0021 0.0046 0.012
Loa Loa (eye worm) hypothetical protein 0.005 0.04 0.0946
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.04 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0046 0.9984
Brugia malayi RNA recognition motif domain containing protein 0.0334 0.3817 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.04 0.2572
Brugia malayi topoisomerase 0.0021 0.0046 0.012
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.2132 0.2097
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0046 1
Schistosoma mansoni DNA ligase IV 0.0021 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0156 0.1675 0.4324
Brugia malayi RNA binding protein 0.0334 0.3817 1
Brugia malayi Muscleblind-like protein 0.0156 0.1675 0.4389
Loa Loa (eye worm) hypothetical protein 0.0038 0.0247 0.054
Echinococcus multilocularis geminin 0.018 0.1962 0.1927
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3817 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.047 0.0429
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0247 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0136 0.1431 1
Entamoeba histolytica hypothetical protein 0.0038 0.0258 0.1547
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.2132 0.5534
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0136 0.1431 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0136 0.1431 0.375
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.04 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1372 0.352
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0388 0.0913
Entamoeba histolytica hypothetical protein 0.0021 0.0046 0.0016
Schistosoma mansoni hypothetical protein 0.0049 0.0381 0.0894
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0388 0.0913
Echinococcus granulosus replication factor c subunit 1 0.0021 0.0046 0.0006
Echinococcus granulosus tar DNA binding protein 0.0334 0.3817 1
Brugia malayi DKFZp564C0469 protein 0.0021 0.0046 0.012
Schistosoma mansoni hypothetical protein 0.0049 0.0381 0.0894
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Loa Loa (eye worm) MBCTL1 0.0056 0.047 0.1131
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0388 0.0346
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.0247 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.1372 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1546 0.3981
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0046 0.0016
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0021 0.0046 0.0063
Loa Loa (eye worm) TAR-binding protein 0.0334 0.3817 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0112 0.0496
Echinococcus granulosus GPCR family 2 0.0049 0.0381 0.0894
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0021 0.0046 0.012
Echinococcus multilocularis tar DNA binding protein 0.0334 0.3817 0.379
Brugia malayi hypothetical protein 0.0131 0.1372 0.3594
Echinococcus multilocularis GPCR, family 2 0.0049 0.0381 0.0339
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1546 0.1509
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0046 0.0016
Echinococcus multilocularis muscleblind protein 0.0156 0.1675 0.1639
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0223 0.5021
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0131 0.1372 0.352
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0247 0.5713
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0112 0.0496
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.04 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.1131
Treponema pallidum DNA ligase (lig) 0.0021 0.0046 0.5

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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