Detailed information for compound 1247622

Basic information

Technical information
  • TDR Targets ID: 1247622
  • Name: 2-chloro-N-(2-chloropyridin-3-yl)pyridine-3-c arboxamide
  • MW: 268.099 | Formula: C11H7Cl2N3O
  • H donors: 1 H acceptors: 3 LogP: 2.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ncccc1NC(=O)c1cccnc1Cl
  • InChi: 1S/C11H7Cl2N3O/c12-9-7(3-1-5-14-9)11(17)16-8-4-2-6-15-10(8)13/h1-6H,(H,16,17)
  • InChiKey: YNSZURRSKMFRSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-(2-chloro-3-pyridyl)pyridine-3-carboxamide
  • 2-chloro-N-(2-chloro-3-pyridyl)-3-pyridinecarboxamide
  • 2-chloro-N-(2-chloro-3-pyridyl)nicotinamide
  • MS-0786
  • 2-chloro-N-(2-chloro-3-pyridinyl)nicotinamide
  • MLS000541584
  • SMR000126442
  • ZINC04105313

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 Pre-SET motif family protein 0.003 0.0874 0.1
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.2026 0.1981
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.102 0.0969
Brugia malayi Pre-SET motif family protein 0.0207 0.8732 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.531 0.7046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0179 0.7512 1
Echinococcus granulosus pyruvate kinase 0.0033 0.102 0.1293
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0874 0.1097
Leishmania major pyruvate kinase 0.0033 0.102 0.4892
Echinococcus granulosus tar DNA binding protein 0.013 0.531 0.7046
Echinococcus multilocularis tar DNA binding protein 0.013 0.531 0.7046
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0825 0.1032
Brugia malayi CCR4 0.0011 0.0056 0.0064
Brugia malayi exodeoxyribonuclease III family protein 0.0056 0.2026 0.232
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.102 0.0969
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0237 0.0271
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0056 0.2026 0.2271
Loa Loa (eye worm) hypothetical protein 0.0048 0.1705 0.1901
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4701 0.5353
Brugia malayi RNA binding protein 0.013 0.531 0.608
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1026 0.1174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0179 0.7512 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0056 0.2026 1
Giardia lamblia Pyruvate kinase 0.0033 0.102 0.4892
Plasmodium vivax pyruvate kinase, putative 0.0033 0.102 0.4892
Schistosoma mansoni tar DNA-binding protein 0.013 0.531 0.7046
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Brugia malayi RNA recognition motif domain containing protein 0.013 0.531 0.608
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0237 0.0209
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.102 0.4892
Echinococcus multilocularis pyruvate kinase 0.0017 0.0308 0.0338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0179 0.7512 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0056 0.2026 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0179 0.7512 1
Onchocerca volvulus 0.003 0.0874 0.0822
Plasmodium vivax SET domain protein, putative 0.003 0.0874 0.4149
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.2026 0.1981
Loa Loa (eye worm) pyruvate kinase 0.0033 0.102 0.1111
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0874 0.1097
Echinococcus multilocularis pyruvate kinase 0.0033 0.102 0.1293
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.102 0.0969
Schistosoma mansoni pyruvate kinase 0.0033 0.102 0.1293
Toxoplasma gondii exonuclease III APE 0.0056 0.2026 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1705 0.1901
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.1097
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0179 0.7512 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0237 0.0243
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.2026 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.102 0.1111
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0874 0.1097
Echinococcus granulosus pyruvate kinase 0.0017 0.0308 0.0338
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.102 0.1168
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0577 0.2646
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0237 0.0243
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0577 0.0601
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1705 0.1953
Trypanosoma brucei pyruvate kinase 1 0.0033 0.102 0.4892
Loa Loa (eye worm) hypothetical protein 0.0023 0.0577 0.0601
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.102 0.0969
Loa Loa (eye worm) hypothetical protein 0.003 0.0874 0.0942
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0056 0.2026 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.2026 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0237 0.0243
Leishmania major pyruvate kinase 0.0033 0.102 0.4892
Schistosoma mansoni hypothetical protein 0.0033 0.1026 0.13
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0179 0.7512 0.8603
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.102 0.1168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1705 0.1953
Chlamydia trachomatis pyruvate kinase 0.0033 0.102 0.5
Brugia malayi TAR-binding protein 0.013 0.531 0.608
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0308 0.128
Echinococcus multilocularis pyruvate kinase 0.0033 0.102 0.1293
Brugia malayi MH2 domain containing protein 0.0116 0.4701 0.5383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0179 0.7512 1
Loa Loa (eye worm) TAR-binding protein 0.013 0.531 0.6055
Loa Loa (eye worm) RNA binding protein 0.013 0.531 0.6055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0056 0.2026 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0874 0.1097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.1097
Echinococcus granulosus pyruvate kinase 0.0017 0.0308 0.0338
Schistosoma mansoni ap endonuclease 0.0056 0.2026 0.2643
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Schistosoma mansoni hypothetical protein 0.0015 0.0237 0.0243
Schistosoma mansoni hypothetical protein 0.0015 0.0237 0.0243
Echinococcus granulosus GPCR family 2 0.0015 0.0237 0.0243
Echinococcus granulosus pyruvate kinase 0.0033 0.102 0.1293
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.102 0.4892
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.102 0.4892
Schistosoma mansoni pyruvate kinase 0.0033 0.102 0.1293
Plasmodium falciparum pyruvate kinase 0.0033 0.102 0.4892
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0056 0.2026 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0179 0.7512 0.8594
Schistosoma mansoni tar DNA-binding protein 0.013 0.531 0.7046
Treponema pallidum exodeoxyribonuclease (exoA) 0.0056 0.2026 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0179 0.7512 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0237 0.0209
Schistosoma mansoni ap endonuclease 0.0056 0.2026 0.2643
Giardia lamblia Pyruvate kinase 0.0017 0.0308 0.128
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.102 0.0969
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.102 0.4892
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.8732 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0874 0.4149
Echinococcus multilocularis pyruvate kinase 0.0017 0.0308 0.0338
Loa Loa (eye worm) pyruvate kinase 0.0033 0.102 0.1111
Schistosoma mansoni tar DNA-binding protein 0.013 0.531 0.7046
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0056 0.2026 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0056 0.2026 1
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0308 0.128
Echinococcus multilocularis pyruvate kinase 0.0026 0.0712 0.088
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4701 0.5353
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.102 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.1097
Loa Loa (eye worm) hypothetical protein 0.0033 0.1026 0.1118
Loa Loa (eye worm) pyruvate kinase 0.0033 0.102 0.1111
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.102 0.4892
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Echinococcus multilocularis GPCR, family 2 0.0015 0.0237 0.0243
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0308 0.128
Schistosoma mansoni tar DNA-binding protein 0.013 0.531 0.7046
Schistosoma mansoni hypothetical protein 0.0015 0.0237 0.0243
Schistosoma mansoni pyruvate kinase 0.0017 0.0308 0.0338
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0056 0.2026 0.2643
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0056 0.2026 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.531 0.6055
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0056 0.2026 0.2643
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0237 0.0271
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0237 0.0243
Trichomonas vaginalis set domain proteins, putative 0.0235 1 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0308 0.0338
Echinococcus multilocularis pyruvate kinase 0.0017 0.0308 0.0338
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0056 0.2026 1
Schistosoma mansoni hypothetical protein 0.0015 0.0237 0.0243
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0056 0.0064

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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