Detailed information for compound 839935

Basic information

Technical information
  • TDR Targets ID: 839935
  • Name: N-(4-chlorophenyl)-3-(hydroxymethyl)pyrazine- 2-carboxamide
  • MW: 263.68 | Formula: C12H10ClN3O2
  • H donors: 2 H acceptors: 4 LogP: 0.73 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1nccnc1C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C12H10ClN3O2/c13-8-1-3-9(4-2-8)16-12(18)11-10(7-17)14-5-6-15-11/h1-6,17H,7H2,(H,16,18)
  • InChiKey: ICEQMXISGZMZKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chlorophenyl)-3-(hydroxymethyl)-2-pyrazinecarboxamide
  • N-(4-chlorophenyl)-3-methylol-pyrazinamide
  • IDI1_027980
  • ChemDiv3_010070

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 pyruvate kinase 1 0.0036 0.0041 0.0293
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.019 0.015
Schistosoma mansoni alpha-glucosidase 0.0294 0.1335 0.4801
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0073 0.0528
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0041 0.0009
Leishmania major pyruvate kinase 0.0036 0.0041 0.0293
Trichomonas vaginalis alpha-glucosidase, putative 0.0076 0.0239 0.0873
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0076 0.0239 0.2033
Loa Loa (eye worm) glutaminase 2 0.0572 0.2737 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0041 0.0148
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.1387 1
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0065 0.0238
Loa Loa (eye worm) glutaminase 0.0572 0.2737 1
Entamoeba histolytica fatty acid elongase, putative 0.0262 0.1175 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2016 1 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0094 0.033 0.8461
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0068 0.0233
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0041 0.0293
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.019 0.1371
Mycobacterium tuberculosis Probable dehydrogenase 0.0094 0.033 0.0291
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0041 0.0421
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0239 0.1722
Leishmania major alpha glucosidase II subunit, putative 0.0076 0.0239 0.1722
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2016 1 1
Schistosoma mansoni hypothetical protein 0.0171 0.0716 0.2505
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0094 0.033 0.0291
Trichomonas vaginalis alpha-glucosidase, putative 0.0076 0.0239 0.0873
Entamoeba histolytica fatty acid elongase, putative 0.0262 0.1175 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0041 0.0148
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0094 0.033 0.0291
Entamoeba histolytica fatty acid elongase, putative 0.0262 0.1175 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.019 0.015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0108 0.0396
Brugia malayi Thioredoxin reductase 0.0041 0.0065 0.0238
Leishmania major trypanothione reductase 0.0041 0.0065 0.0469
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0239 0.1722
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2016 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0108 0.0496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0108 0.0251
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.019 0.015
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0582 0.4194
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0104 0.0383 0.0344
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0041 0.0293
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.019 0.1027
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0881 0.4293 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2016 1 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0076 0.0239 0.2033
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2016 1 1
Trypanosoma brucei trypanothione reductase 0.0041 0.0065 0.0469
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0032 0.023
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0076 0.0239 0.0873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0108 0.0247
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0076 0.0239 1
Schistosoma mansoni glutaminase 0.0572 0.2737 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0041 0.0148
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0065 0.0033
Loa Loa (eye worm) glutathione reductase 0.0041 0.0065 0.0238
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0104 0.0383 1
Plasmodium falciparum thioredoxin reductase 0.0041 0.0065 0.0033
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.0582 0.4194
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.0664 0.0626
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0108 0.0396
Leishmania major mitochondrial DNA polymerase beta 0.0304 0.1387 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0076 0.0239 0.0873
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.019 0.0438
Brugia malayi glutaminase DH11.1 0.0572 0.2737 1
Onchocerca volvulus 0.0197 0.0851 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2016 1 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0032 0.023
Echinococcus multilocularis geminin 0.0171 0.0716 0.1664
Brugia malayi Augmenter of liver regeneration 0.0035 0.0032 0.0116
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0065 0.0469
Brugia malayi glutathione reductase 0.0041 0.0065 0.0238
Toxoplasma gondii hypothetical protein 0.0049 0.0105 0.3523
Echinococcus multilocularis pyruvate kinase 0.0036 0.0041 0.009
Trichomonas vaginalis glutaminase, putative 0.0572 0.2737 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.0041 0.009
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0073 0.0528
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0041 0.0148
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0032 0.0069
Echinococcus granulosus geminin 0.0171 0.0716 0.4437
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0108 0.0247
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0076 0.0239 0.0873
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0073 0.0528
Leishmania major hypothetical protein, conserved 0.0035 0.0032 0.023
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.0065 0.0025
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0094 0.033 0.0291
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0041 0.0477
Plasmodium vivax glutathione reductase, putative 0.0041 0.0065 0.0033
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.0383 0.0344
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.019 0.015
Schistosoma mansoni hypothetical protein 0.0171 0.0716 0.2505
Echinococcus multilocularis lysosomal alpha glucosidase 0.0341 0.1574 0.3664
Trichomonas vaginalis alpha-glucosidase, putative 0.0076 0.0239 0.0873
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0032 0.0116
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0041 0.0148
Echinococcus multilocularis lysosomal alpha glucosidase 0.0341 0.1574 0.3664
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0094 0.033 0.0291
Echinococcus granulosus neutral alpha glucosidase AB 0.0076 0.0239 0.1343
Leishmania major pyruvate kinase 0.0036 0.0041 0.0293
Entamoeba histolytica fatty acid elongase, putative 0.0262 0.1175 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0068 0.0153
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0032 0.023
Giardia lamblia Pyruvate kinase 0.0036 0.0041 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0108 0.0251
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0304 0.1387 1
Trypanosoma brucei glucosidase, putative 0.0076 0.0239 0.1722
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0108 0.0496
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0073 0.0528
Toxoplasma gondii thioredoxin reductase 0.0041 0.0065 0.1602
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.012 0.0867
Brugia malayi Glycosyl hydrolases family 31 protein 0.0341 0.1574 0.5751
Entamoeba histolytica fatty acid elongase, putative 0.0262 0.1175 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0076 0.0239 0.0873
Mycobacterium ulcerans hypothetical protein 0.016 0.0664 0.0626
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0341 0.1574 0.5751
Plasmodium falciparum pyruvate kinase 0.0036 0.0041 0.0009
Echinococcus multilocularis neutral alpha glucosidase AB 0.0076 0.0239 0.0552
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0041 0.0293
Brugia malayi Glycosyl hydrolases family 31 protein 0.0076 0.0239 0.0873
Trichomonas vaginalis maltase-glucoamylase, putative 0.0076 0.0239 0.0873
Echinococcus granulosus pyruvate kinase 0.0036 0.0041 0.0057
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0076 0.0239 0.0873
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.019 0.0555
Schistosoma mansoni alpha-glucosidase 0.0294 0.1335 0.4801
Mycobacterium tuberculosis Probable reductase 0.0094 0.033 0.0291
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0041 0.0477
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0041 0.0148
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0041 0.0477
Echinococcus granulosus pyruvate kinase 0.0036 0.0041 0.0057
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0104 0.0383 0.0344
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0041 0.0148
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.1387 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0582 0.4194
Schistosoma mansoni alpha glucosidase 0.0076 0.0239 0.0735
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.019 0.0555
Mycobacterium ulcerans glutaminase 0.0572 0.2737 0.2708
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0032 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0108 0.0251
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.019 0.7648
Plasmodium falciparum glutathione reductase 0.0041 0.0065 0.0033
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2016 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0041 0.0148
Trichomonas vaginalis alpha-glucosidase, putative 0.0076 0.0239 0.0873
Echinococcus granulosus lysosomal alpha glucosidase 0.0341 0.1574 1

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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