Detailed information for compound 1387362

Basic information

Technical information
  • TDR Targets ID: 1387362
  • Name: N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide
  • MW: 276.678 | Formula: C12H9ClN4O2
  • H donors: 2 H acceptors: 4 LogP: 1.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NNC(=O)c1cnccn1
  • InChi: 1S/C12H9ClN4O2/c13-9-3-1-8(2-4-9)11(18)16-17-12(19)10-7-14-5-6-15-10/h1-7H,(H,16,18)(H,17,19)
  • InChiKey: XMRUGQJFSZJSKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide
  • N'-(4-chlorobenzoyl)pyrazinohydrazide
  • N'-(4-chlorophenyl)carbonylpyrazine-2-carbohydrazide
  • STOCK3S-96158
  • ZINC00208205
  • 4-Chloro-benzoic acid N'-(pyrazine-2-carbonyl)-hydrazide
  • MLS000332634
  • SMR000435947

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Caenorhabditis elegans Protein MEX-5 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.01 0.0795 0.0795
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0076 0.5
Echinococcus multilocularis carbonic anhydrase 0.0554 0.5321 0.5321
Schistosoma mansoni carbonic anhydrase 0.0457 0.4347 0.4347
Loa Loa (eye worm) hypothetical protein 0.0554 0.5321 0.5321
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0066 0.0066
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1024 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0345 0.0345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Schistosoma mansoni hypothetical protein 0.0025 0.0043 0.0043
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1024 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0457 0.4347 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0066 0.0066
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0795 0.0795
Entamoeba histolytica carbonic anhydrase, putative 0.0457 0.4347 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1024 1 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0554 0.5321 0.5321
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3313 1
Echinococcus granulosus carbonic anhydrase 0.0554 0.5321 0.5321
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0554 0.5321 0.5277
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1024 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1513 0.3365
Echinococcus granulosus carbonic anhydrase II 0.1024 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1024 1 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0795 0.0795
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0345 0.0345
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0227 0.0227
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0554 0.5321 0.5277
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0198 0.1763 0.7328
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0345 0.0253
Loa Loa (eye worm) hypothetical protein 0.0554 0.5321 0.5321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Echinococcus multilocularis carbonic anhydrase II 0.1024 1 1
Echinococcus multilocularis carbonic anhydrase 0.0554 0.5321 0.5321
Schistosoma mansoni zinc finger protein 0.0024 0.003 0.003
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0259 0.2379 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0554 0.5321 0.5277
Leishmania major carbonic anhydrase-like protein 0.1024 1 1
Echinococcus granulosus carbonic anhydrase 0.0554 0.5321 0.5321
Brugia malayi Bromodomain containing protein 0.0046 0.0256 0.0163
Echinococcus multilocularis zinc finger protein 0.0024 0.003 0.003
Schistosoma mansoni carbonic anhydrase-related 0.0554 0.5321 0.5321
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0043 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0345 0.0345
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3313 0.7578
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0285 0.0285
Onchocerca volvulus 0.01 0.0795 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1024 1 0.5
Mycobacterium ulcerans carbonic anhydrase 0.0457 0.4347 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0076 0.5
Mycobacterium ulcerans carbonic anhydrase 0.0198 0.1763 0.395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0513 0.0513
Leishmania major carbonic anhydrase family protein, putative 0.0457 0.4347 0.4304
Schistosoma mansoni carbonic anhydrase 0.0554 0.5321 0.5321
Loa Loa (eye worm) hypothetical protein 0.0052 0.0308 0.0308
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3313 0.5
Echinococcus granulosus carbonic anhydrase 0.0554 0.5321 0.5321
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0554 0.5321 0.5277
Loa Loa (eye worm) hypothetical protein 0.0085 0.0646 0.0646
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1024 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0554 0.5321 0.5321
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0513 0.0513
Schistosoma mansoni carbonic anhydrase-related 0.0554 0.5321 0.5321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Loa Loa (eye worm) hypothetical protein 0.0554 0.5321 0.5321
Schistosoma mansoni bromodomain containing protein 0.0076 0.0556 0.0556
Brugia malayi Bromodomain containing protein 0.0091 0.0697 0.0609
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0795 0.0708
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0007 0.0007
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3313 0.7578
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1513 0.3365
Loa Loa (eye worm) carbonic anhydrase 3 0.1024 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0257 0.0257
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9555 0.9555
Echinococcus granulosus zinc finger protein 0.0024 0.003 0.003
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0066 0.0066
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0554 0.5321 0.5277
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0795 0.0795
Toxoplasma gondii hypothetical protein 0.0554 0.5321 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0345 0.0345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0345 0.0345
Plasmodium falciparum carbonic anhydrase 0.0554 0.5321 1
Schistosoma mansoni hypothetical protein 0.0554 0.5321 0.5321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3313 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0345 0.0345
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1513 0.6241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0345 0.0345
Echinococcus multilocularis carbonic anhydrase 0.0554 0.5321 0.5321
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0227 0.0227

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 12.41 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 95.863 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1961 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5594 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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