Detailed information for compound 728306

Basic information

Technical information
  • TDR Targets ID: 728306
  • Name: ethyl 4-[(5-chloropyridin-2-yl)carbamoylamino ]benzoate
  • MW: 319.743 | Formula: C15H14ClN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)Nc1ccc(cn1)Cl
  • InChi: 1S/C15H14ClN3O3/c1-2-22-14(20)10-3-6-12(7-4-10)18-15(21)19-13-8-5-11(16)9-17-13/h3-9H,2H2,1H3,(H2,17,18,19,21)
  • InChiKey: MDPGVNAZRRPSGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-[(5-chloro-2-pyridyl)carbamoylamino]benzoate
  • 4-[[[(5-chloro-2-pyridyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
  • 4-[(5-chloro-2-pyridyl)carbamoylamino]benzoic acid ethyl ester
  • IVK/0017567
  • AIDS-129073
  • AIDS129073
  • Ethyl 4-((((5-chloro-2-pyridinyl)amino)carbonyl)amino)benzoate
  • NSC326418
  • MLS000679516
  • SMR000297676
  • ethyl 4-({[(5-chloro-2-pyridinyl)amino]carbonyl}amino)benzoate

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
Brugia malayi beta-lactamase family protein 0.0036 0.0682 0.1294
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3187 0.3187
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0019 0.0272 0.0468
Brugia malayi RNA recognition motif domain containing protein 0.0137 0.3187 0.6341
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0272 0.0272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0936 0.0936
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0091 0.205 0.205
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0936 0.1807
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0948 0.0948
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.4342 0.4342
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0039 0.0039
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0039 0.0039
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0099 0.2251 0.3115
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0099 0.2251 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0272 0.0468
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.1108 0.1108
Brugia malayi Pre-SET motif family protein 0.0031 0.0555 0.1039
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.113 0.113
Schistosoma mansoni nuclear hormone receptor 0.001 0.0039 0.0039
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0272 0.0272
Schistosoma mansoni lipoxygenase 0.0054 0.113 0.113
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0948 0.0948
Schistosoma mansoni hypothetical protein 0.0019 0.0272 0.0272
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0272 0.0272
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0039 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0682 0.1053
Echinococcus granulosus tar DNA binding protein 0.0137 0.3187 0.3187
Loa Loa (eye worm) TAR-binding protein 0.0137 0.3187 0.6341
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0039 0.0039
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0682 0.0214
Toxoplasma gondii ABC1 family protein 0.0036 0.0682 0.0745
Loa Loa (eye worm) MBCTL1 0.0053 0.1108 0.2154
Echinococcus multilocularis tar DNA binding protein 0.0137 0.3187 0.3187
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.5003 1
Schistosoma mansoni hypothetical protein 0.0411 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0936 0.0936
Schistosoma mansoni thyroid hormone receptor 0.001 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0053 0.1108 0.2154
Mycobacterium leprae Probable lipase LipE 0.0036 0.0682 0.5
Schistosoma mansoni rab6-interacting 0.0019 0.0272 0.0272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0936 0.0936
Schistosoma mansoni loxhd1 0.0019 0.0272 0.0272
Echinococcus granulosus cpg binding protein 0.003 0.0552 0.0552
Brugia malayi glucose-6-phosphate dehydrogenase 0.0091 0.205 0.4052
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0091 0.205 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0682 0.0214
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0682 0.0214
Onchocerca volvulus 0.0036 0.0682 0.1131
Brugia malayi hypothetical protein 0.0019 0.0272 0.0468
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0948 0.0948
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0039 0.0039
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.1108 0.1108
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0682 0.1294
Schistosoma mansoni thyroid hormone receptor 0.001 0.0039 0.0039
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0555 0.0555
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0948 0.1601
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0682 0.0682
Echinococcus multilocularis RUN 0.0019 0.0272 0.0272
Onchocerca volvulus 0.0019 0.0272 0.0409
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0682 0.2071
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0039 0.0039
Onchocerca volvulus 0.0036 0.0682 0.1131
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0039 0.0039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0936 0.0936
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0272 0.0272
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0555 0.0555
Echinococcus granulosus RUN 0.0019 0.0272 0.0272
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0099 0.2251 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Brugia malayi Pre-SET motif family protein 0.021 0.5003 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.1108 0.1108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0039 0.0039
Schistosoma mansoni polycystin 1-related 0.0019 0.0272 0.0272
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0039 0.0039
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0059 0.1268 0.4284
Loa Loa (eye worm) hypothetical protein 0.0046 0.0948 0.1832
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0682 0.1053
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0948 0.0948
Loa Loa (eye worm) beta-lactamase 0.0036 0.0682 0.1294
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0059 0.1268 0.4203
Brugia malayi mbt repeat family protein 0.0046 0.0948 0.1832
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0682 0.0214
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0682 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.4342 0.4342
Onchocerca volvulus 0.0239 0.572 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.118 0.3682
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0091 0.205 0.4052
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0039 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3187 0.3187
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0039 0.0039
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0039 0.0039
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0039 0.0039
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0682 0.0214
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.1108 0.2154
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0948 0.0948
Loa Loa (eye worm) histone methyltransferase 0.001 0.0044 0.0009
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0511 0.0951
Schistosoma mansoni hypothetical protein 0.0282 0.6809 0.6809
Schistosoma mansoni coup transcription factor 0.001 0.0039 0.0039
Brugia malayi mbt repeat family protein 0.0046 0.0948 0.1832
Brugia malayi Doublecortin family protein 0.0019 0.0272 0.0468
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Trichomonas vaginalis set domain proteins, putative 0.0239 0.572 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0091 0.205 1
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3187 0.3187
Schistosoma mansoni cpg binding protein 0.003 0.0552 0.0552
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0091 0.205 0.205
Echinococcus granulosus FTZ F1 alpha 0.001 0.0039 0.0039
Brugia malayi RNA binding protein 0.0137 0.3187 0.6341
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1342 0.1342
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Onchocerca volvulus 0.0036 0.0682 0.1131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0036 0.0682 0.1294
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0542 0.0142
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0948 0.0948
Schistosoma mansoni cpg binding protein 0.003 0.0552 0.0552
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0272 0.0272
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0555 0.0555
Echinococcus multilocularis cpg binding protein 0.003 0.0552 0.0552
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.2251 0.3115
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0682 0.0214
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0682 0.0682
Mycobacterium tuberculosis Conserved protein 0.0036 0.0682 0.0214
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0039 0.0039
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0039 0.0039
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0039 0.0039
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0272 0.0468
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0039 0.0039
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0091 0.205 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0099 0.2251 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0039 0.0039
Loa Loa (eye worm) RNA binding protein 0.0137 0.3187 0.6341
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.2251 0.3115
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0137 0.3187 0.6341
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0039 0.0039
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0682 0.0214
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0948 0.0948
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0041 0.0004
Brugia malayi TAR-binding protein 0.0137 0.3187 0.6341
Brugia malayi hypothetical protein 0.0019 0.0272 0.0468
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.1108 0.1108
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.1108 0.1108
Onchocerca volvulus 0.0046 0.0948 0.1601
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.5461 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0682 0.1294
Schistosoma mansoni rab6-interacting 0.0019 0.0272 0.0272
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0555 0.0555
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0512 0.0512
Mycobacterium tuberculosis Conserved protein 0.0036 0.0682 0.0214
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.113 0.113
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0039 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0682 0.0682
Onchocerca volvulus 0.0019 0.0272 0.0409
Loa Loa (eye worm) hypothetical protein 0.0031 0.0555 0.1039
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0555 0.0555
Echinococcus multilocularis dnaJ subfamily B 0.0411 1 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0091 0.205 0.205
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3187 0.3187
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0091 0.205 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0511 0.0951
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0039 0.0039
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0039 0.0039
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0091 0.205 0.5
Onchocerca volvulus 0.0031 0.0555 0.0908
Mycobacterium tuberculosis Conserved protein 0.0036 0.0682 0.0214
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3187 0.3187
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0682 0.0682
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0039 0.0039
Plasmodium vivax SET domain protein, putative 0.0031 0.0555 0.1432
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0272 0.0272
Schistosoma mansoni cpg binding protein 0.0029 0.0511 0.0511
Schistosoma mansoni lipoxygenase 0.0019 0.0272 0.0272
Onchocerca volvulus 0.0029 0.0511 0.0831
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0936 0.0936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0936 0.0936
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0948 0.1832
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0936 0.1807
Brugia malayi beta-lactamase family protein 0.0036 0.0682 0.1294
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0099 0.2251 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0039 0.0039
Brugia malayi beta-lactamase 0.0036 0.0682 0.1294
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0044 0.0044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0555 0.0555
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0091 0.205 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0039 0.0039

Activities

Activity type Activity value Assay description Source 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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