Detailed information for compound 1205956

Basic information

Technical information
  • TDR Targets ID: 1205956
  • Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
  • MW: 319.743 | Formula: C15H14ClN3O3
  • H donors: 1 H acceptors: 4 LogP: 1.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1cccc(c1)Cl)COC(=O)c1cnc(cn1)C
  • InChi: 1S/C15H14ClN3O3/c1-10-6-18-13(8-17-10)15(21)22-9-14(20)19-7-11-3-2-4-12(16)5-11/h2-6,8H,7,9H2,1H3,(H,19,20)
  • InChiKey: DLIDLVWDCFXKBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
  • 5-methyl-2-pyrazinecarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester
  • 5-methylpyrazinic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester
  • ZINC07536797

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 jumonji domain containing protein 0.0064 0.095 0.1583
Brugia malayi Doublecortin family protein 0.0021 0.0067 0.0203
Loa Loa (eye worm) hypoxia-induced factor 1 0.0163 0.3023 0.9137
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0382 0.1017
Loa Loa (eye worm) beta-lactamase 0.0078 0.1246 0.3767
Onchocerca volvulus 0.0078 0.1246 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0061 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0656 0.1093
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0817 0.2173
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Onchocerca volvulus 0.005 0.0672 0.539
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0938 0.7525
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0435 0.1315
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0672 0.1787
Schistosoma mansoni hypothetical protein 0.0044 0.0542 0.0903
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0382 0.1017
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0067 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.1246 0.3767
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0672 0.1787
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0127 0.2284 0.6077
Loa Loa (eye worm) hypothetical protein 0.0091 0.1524 0.4606
Brugia malayi PAS domain containing protein 0.0053 0.0721 0.2178
Leishmania major cathepsin L-like protease 0.0069 0.1063 0.8529
Brugia malayi beta-lactamase 0.0078 0.1246 0.3767
Schistosoma mansoni rab6-interacting 0.0021 0.0067 0.0112
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1036 0.313
Echinococcus granulosus single minded 2 0.0039 0.0435 0.1157
Loa Loa (eye worm) hypothetical protein 0.0021 0.0067 0.0203
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.1246 1
Brugia malayi PHD-finger family protein 0.0053 0.0733 0.2215
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.1246 0.3767
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0067 0.0179
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0656 0.1745
Mycobacterium leprae conserved hypothetical protein 0.0078 0.1246 0.5
Brugia malayi hypoxia-induced factor 1 0.0163 0.3023 0.9137
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0627 0.1669
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.1246 0.3315
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.095 0.2528
Leishmania major hypothetical protein, conserved 0.0078 0.1246 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1063 0.8529
Mycobacterium leprae Probable lipase LipE 0.0078 0.1246 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0656 0.1983
Brugia malayi Bromodomain containing protein 0.0082 0.133 0.402
Schistosoma mansoni hypothetical protein 0.0021 0.0067 0.0112
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1246 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1063 0.8529
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0067 0.0179
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Brugia malayi hypothetical protein 0.0176 0.3308 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0067 0.0179
Leishmania major hypothetical protein, conserved 0.0033 0.0304 0.244
Brugia malayi Bromodomain containing protein 0.016 0.2967 0.8967
Entamoeba histolytica cysteine protease, putative 0.0018 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1246 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1246 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Brugia malayi hypothetical protein 0.0021 0.0067 0.0203
Brugia malayi MH2 domain containing protein 0.0129 0.2311 0.6986
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0382 0.1017
Toxoplasma gondii ABC1 family protein 0.0078 0.1246 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0067 0.0179
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0542 0.1638
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0817 0.2173
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.1246 0.3315
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0382 0.0637
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1246 0.2076
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0754 0.6054
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.1224 0.3257
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0817 0.2173
Echinococcus granulosus RUN 0.0021 0.0067 0.0179
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Echinococcus multilocularis zinc finger protein 0.0042 0.0495 0.1316
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.1246 1
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.1036 0.2755
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.1246 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0656 0.1745
Leishmania major cathepsin L-like protease 0.0069 0.1063 0.8529
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Trypanosoma cruzi ISWI complex protein 0.0033 0.0304 0.244
Schistosoma mansoni single-minded 0.0053 0.0721 0.12
Mycobacterium ulcerans lipase LipD 0.0078 0.1246 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0656 0.1745
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.095 0.2528
Schistosoma mansoni lipoxygenase 0.0127 0.2286 0.3807
Loa Loa (eye worm) hypothetical protein 0.0036 0.0382 0.1156
Onchocerca volvulus 0.0078 0.1246 1
Brugia malayi mbt repeat family protein 0.005 0.0672 0.203
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.041 0.1238
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0656 0.1983
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0435 0.1157
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0656 0.1093
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.3759 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0817 0.2469
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0817 0.2469
Brugia malayi mbt repeat family protein 0.005 0.0672 0.203
Schistosoma mansoni hypothetical protein 0.0305 0.6004 1
Schistosoma mansoni rab6-interacting 0.0021 0.0067 0.0112
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0627 0.1669
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0382 0.0637
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1246 1
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0672 0.203
Schistosoma mansoni lipoxygenase 0.0089 0.1484 0.2472
Brugia malayi beta-lactamase family protein 0.0078 0.1246 0.3767
Brugia malayi jmjC domain containing protein 0.0064 0.095 0.2872
Loa Loa (eye worm) hypothetical protein 0.0151 0.2776 0.839
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0127 0.2284 0.6077
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0627 0.1045
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.1036 0.1725
Echinococcus multilocularis RUN 0.0021 0.0067 0.0179
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.1224 0.3257
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Schistosoma mansoni hypothetical protein 0.0033 0.0304 0.0506
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0672 0.1787
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.2311 0.6986
Mycobacterium ulcerans hypothetical protein 0.0078 0.1246 1
Mycobacterium ulcerans beta-lactamase 0.0078 0.1246 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0382 0.0637
Onchocerca volvulus 0.0078 0.1246 1
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0067 0.0179
Loa Loa (eye worm) hypothetical protein 0.0087 0.1439 0.4348
Schistosoma mansoni zinc finger protein 0.0042 0.0495 0.0824
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0382 0.1017
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0721 0.12
Schistosoma mansoni polycystin 1-related 0.0021 0.0067 0.0112
Loa Loa (eye worm) MBCTL1 0.0057 0.0817 0.2469
Brugia malayi hypothetical protein 0.0021 0.0067 0.0203
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0672 0.1119
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.095 0.2528
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.3759 1
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.1246 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0382 0.0637
Brugia malayi jmjC domain containing protein 0.0068 0.1036 0.313
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0067 0.0179
Loa Loa (eye worm) hypothetical protein 0.0082 0.1333 0.4029
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0672 0.539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Leishmania major cathepsin L-like protease 0.0069 0.1063 0.8529
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0672 0.1119
Echinococcus granulosus zinc finger protein 0.0042 0.0495 0.1316
Trypanosoma cruzi ISWI complex protein 0.0033 0.0304 0.244
Entamoeba histolytica cysteine proteinase, putative 0.0018 0 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0127 0.2286 0.6081
Onchocerca volvulus 0.0021 0.0067 0.0539
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Schistosoma mansoni bromodomain containing protein 0.0135 0.2444 0.4071
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0127 0.2286 0.6081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.1063 0.8529
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0672 0.1119
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0817 0.1361
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.1246 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0061 0.0163
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0656 0.1745
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1246 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1063 0.8529
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.1036 0.1725
Brugia malayi beta-lactamase family protein 0.0078 0.1246 0.3767
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.2311 0.6986
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0672 0.1787
Trichomonas vaginalis esterase, putative 0.0078 0.1246 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0656 0.1093
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0067 0.0539
Loa Loa (eye worm) hypothetical protein 0.0176 0.3308 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0067 0.0203
Loa Loa (eye worm) hypothetical protein 0.005 0.0672 0.203
Schistosoma mansoni loxhd1 0.0021 0.0067 0.0112
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1246 0.2076
Onchocerca volvulus 0.0021 0.0067 0.0539
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0817 0.2173
Entamoeba histolytica cysteine proteinase, putative 0.0018 0 0.5
Schistosoma mansoni zinc finger protein 0.0033 0.0304 0.0506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1063 0.8054
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0067 0.0203
Onchocerca volvulus 0.0039 0.0435 0.3491
Loa Loa (eye worm) hypothetical protein 0.0078 0.1246 0.3767
Plasmodium vivax hypothetical protein, conserved 0.0078 0.1246 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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