Detailed information for compound 1681528

Basic information

Technical information
  • TDR Targets ID: 1681528
  • Name: (2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolid ine-3-carboxylic acid
  • MW: 220.225 | Formula: C11H12N2O3
  • H donors: 1 H acceptors: 4 LogP: -0.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]1CC(=O)N([C@@H]1c1cccnc1)C
  • InChi: 1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1
  • InChiKey: DEYLVDCFTICBTB-WCBMZHEXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3S)-1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carboxylic acid
  • (2S,3S)-1-methyl-5-oxo-2-(3-pyridyl)-3-pyrrolidinecarboxylic acid
  • (2S,3S)-5-keto-1-methyl-2-(3-pyridyl)pyrrolidine-3-carboxylic acid
  • (2S,3S)-1-methyl-5-oxo-2-pyridin-3-yl-pyrrolidine-3-carboxylic acid
  • 347574_ALDRICH
  • SBB003355
  • trans-4-Cotininecarboxylic acid
  • TimTec1_003237

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
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0059 0.2947 1
Echinococcus granulosus GPCR family 2 0.001 0.0003 0.0003
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.1647 0.5587
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2498 0.2412
Brugia malayi Cytochrome P450 family protein 0.0016 0.0379 0.0384
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.003 0.1246 0.1264
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2498 0.2412
Echinococcus multilocularis caspase 8 0.003 0.1246 0.1264
Brugia malayi Latrophilin receptor protein 2 0.001 0.0003 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.1559 0.1631
Schistosoma mansoni jumonji domain containing protein 0.0036 0.1559 0.1582
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Echinococcus granulosus intermediate filament protein 0.0016 0.0408 0.0427
Echinococcus granulosus single minded 2 0.0022 0.0735 0.0768
Trypanosoma brucei cytochrome P450, putative 0.001 0.0006 0.0019
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2498 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Echinococcus multilocularis caspase 3 0.0083 0.44 0.4465
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2498 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.001 0.0003 0.0003
Echinococcus granulosus caspase 8 0.003 0.1246 0.1303
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.003 0.1235 0.1254
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0087 0.4595 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Brugia malayi PAS domain containing protein 0.003 0.1192 0.1209
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0037 0.1647 0.1671
Loa Loa (eye worm) CYP4Cod1 0.001 0.0006 0.0006
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.2242 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Loa Loa (eye worm) hypoxia-induced factor 1 0.0091 0.4877 0.4948
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.1087 0.1103
Trypanosoma cruzi metacaspase, putative 0.003 0.1246 0.4227
Echinococcus granulosus lamin 0.0016 0.0408 0.0427
Echinococcus multilocularis musashi 0.0016 0.0408 0.0414
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Schistosoma mansoni hypothetical protein 0.001 0.0003 0.0003
Echinococcus multilocularis lamin 0.0016 0.0408 0.0414
Trypanosoma brucei metacaspase 0.003 0.1246 0.4227
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0011 0.0113 0.0383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0087 0.4595 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.003 0.1246 0.4988
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0011 0.0113 0.0115
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0114 0.6213 0.6497
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0011 0.0113 0.0504
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0059 0.2947 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0059 0.2947 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0059 0.2947 0.2867
Trypanosoma brucei metacaspase 5, putative 0.003 0.1246 0.4227
Brugia malayi latrophilin 2 splice variant baaae 0.0021 0.0665 0.0675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Schistosoma mansoni ap endonuclease 0.0011 0.0113 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.2947 0.2867
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0379 0.0384
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.1647 0.3576
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.001 0.0003 0.0003
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.9855 1
Echinococcus granulosus caspase 3 0.0083 0.44 0.4602
Echinococcus multilocularis caspase 0.0114 0.6213 0.6305
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0011 0.0113 0.0115
Schistosoma mansoni ap endonuclease 0.0011 0.0113 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0032 0.1367 0.1388
Echinococcus multilocularis caspase 2 0.003 0.1246 0.1264
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.1087 0.1103
Schistosoma mansoni hypothetical protein 0.001 0.0003 0.0003
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0059 0.2947 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0059 0.2947 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0177 1 1
Brugia malayi jmjC domain containing protein 0.0036 0.1559 0.1582
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.003 0.1246 0.4988
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.001 0.0003 0.0003
Brugia malayi intermediate filament protein 0.0016 0.0408 0.0414
Toxoplasma gondii exonuclease III APE 0.0011 0.0113 0.0452
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.003 0.1246 0.4988
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0011 0.0113 0.0452
Schistosoma mansoni lamin 0.0016 0.0408 0.0414
Leishmania major cytochrome p450-like protein 0.001 0.0006 0.0019
Schistosoma mansoni caspase-7 (C14 family) 0.003 0.1246 0.1264
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0011 0.0113 0.0383
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1559 0.1582
Loa Loa (eye worm) intermediate filament protein 0.0016 0.0408 0.0414
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Trypanosoma cruzi metacaspase, putative 0.003 0.1246 0.4227
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.9855 1
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0028 0.1087 0.1103
Giardia lamblia Fructose-bisphosphate aldolase 0.0177 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0011 0.0113 0.0234
Loa Loa (eye worm) hypothetical protein 0.0021 0.0665 0.0675
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2242 0.2154
Trypanosoma brucei Metacaspase-4 0.003 0.1246 0.4227
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.1559 0.1582
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0114 0.6213 0.6305
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.2242 0.2154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.1087 0.1103
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2498 0.2612
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.1087 0.1136
Brugia malayi bHLH-PAS transcription factor 0.0022 0.0735 0.0746
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9562 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0059 0.2947 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0036 0.1559 0.1631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.003 0.1235 0.1254
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0059 0.2947 0.2991
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0011 0.0113 0.0383
Schistosoma mansoni caspase-7 (C14 family) 0.0114 0.6213 0.6305
Brugia malayi Cell death protein 3 precursor 0.003 0.1246 0.1264
Loa Loa (eye worm) hypothetical protein 0.003 0.1246 0.1264
Brugia malayi hypothetical protein 0.0099 0.5334 0.5412
Loa Loa (eye worm) hypothetical protein 0.003 0.1246 0.1264
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Brugia malayi jmjC domain containing protein 0.0036 0.1559 0.1582
Schistosoma mansoni hypothetical protein 0.0021 0.0665 0.0675
Schistosoma mansoni aryl hydrocarbon receptor 0.003 0.1192 0.1209
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0087 0.4595 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Plasmodium falciparum metacaspase 1 0.003 0.1246 0.5556
Mycobacterium ulcerans putative regulatory protein 0.0022 0.0735 0.1589
Loa Loa (eye worm) latrophilin receptor protein 2 0.001 0.0003 0.0003
Brugia malayi Intermediate filament tail domain containing protein 0.0016 0.0408 0.0414
Brugia malayi exodeoxyribonuclease III family protein 0.0011 0.0113 0.0115
Trypanosoma cruzi metacaspase 5, putative 0.003 0.1246 0.4227
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Loa Loa (eye worm) acetyltransferase 0.0175 0.9855 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.003 0.1246 0.1146
Schistosoma mansoni single-minded 0.003 0.1192 0.1209
Plasmodium vivax hypothetical protein, conserved 0.003 0.1246 0.4988
Loa Loa (eye worm) hypothetical protein 0.0016 0.039 0.0396
Trypanosoma cruzi metacaspase 5, putative 0.003 0.1246 0.4227
Plasmodium falciparum metacaspase-like protein 0.003 0.1246 0.5556
Plasmodium vivax metacaspase 1, putative 0.003 0.1246 0.4988
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.001 0.0003 0.0003
Echinococcus multilocularis transfer RNA-Lys 0.0022 0.0735 0.0746
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.003 0.1246 0.1264
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0006 0.0019
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2498 1
Brugia malayi Cytochrome P450 family protein 0.001 0.0006 0.0006
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0037 0.1647 0.3422
Loa Loa (eye worm) hypothetical protein 0.003 0.1235 0.1254
Giardia lamblia Rrm3p helicase 0.0059 0.2947 0.2867
Echinococcus multilocularis lamin dm0 0.0016 0.0408 0.0414
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.1559 0.1582
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0059 0.2947 0.3082
Onchocerca volvulus Cell death protein 3 homolog 0.003 0.1246 1
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0006 0.0006
Trypanosoma cruzi metacaspase, putative 0.003 0.1246 0.4227
Entamoeba histolytica hypothetical protein, conserved 0.0059 0.2947 0.2867
Echinococcus granulosus caspase 0.0114 0.6213 0.6497
Loa Loa (eye worm) hypothetical protein 0.001 0.0003 0.0003
Trypanosoma brucei metacaspase MCA2 0.003 0.1246 0.4227
Echinococcus granulosus lamin dm0 0.0016 0.0408 0.0427
Brugia malayi Calcitonin receptor-like protein seb-1 0.003 0.1235 0.1254
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0011 0.0113 0.0118
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.9855 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0037 0.1647 0.1671
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0016 0.0408 0.0414
Treponema pallidum fructose-bisphosphate aldolase 0.0177 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0028 0.1087 0.1103
Leishmania major metacaspase, putative 0.003 0.1246 0.4227
Brugia malayi Cytochrome P450 family protein 0.001 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.1303 0.1322
Onchocerca volvulus 0.0022 0.0735 0.3899
Schistosoma mansoni hypothetical protein 0.001 0.0003 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1146
Loa Loa (eye worm) hypothetical protein 0.0016 0.0408 0.0414
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0011 0.0113 0.0383
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.1647 0.3576
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1559 0.1582
Trypanosoma brucei metacaspase MCA3 0.003 0.1246 0.4227
Echinococcus multilocularis GPCR, family 2 0.001 0.0003 0.0003
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.1647 0.1671
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.001 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0059 0.2947 0.2991
Schistosoma mansoni caspase-3 (C14 family) 0.0114 0.6213 0.6305
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0036 0.1559 0.1582
Trypanosoma cruzi metacaspase, putative 0.003 0.1246 0.4227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.1087 0.1103
Schistosoma mansoni lamin 0.0016 0.0408 0.0414
Brugia malayi hypoxia-induced factor 1 0.0091 0.4877 0.4948
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0037 0.1647 0.1722
Schistosoma mansoni hypothetical protein 0.001 0.0003 0.0003
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0006 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.1087 0.1136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.1087 0.1103
Schistosoma mansoni intermediate filament proteins 0.0016 0.0408 0.0414
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0059 0.2947 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0011 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.5334 0.5412
Echinococcus granulosus caspase 2 0.003 0.1246 0.1303

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = -4.39 % Inhibition of horse BChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Inhibition (binding) = -2.93 % Inhibition of electric eel AChE at 2 mg/ml by Ellman's method ChEMBL. 23062825

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.