Detailed information for compound 349534

Basic information

Technical information
  • TDR Targets ID: 349534
  • Name: N-[3-[6-(3-chloro-4-fluoroanilino)pyrazin-2-y l]phenyl]acetamide
  • MW: 356.781 | Formula: C18H14ClFN4O
  • H donors: 2 H acceptors: 3 LogP: 3.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)c1cncc(n1)Nc1ccc(c(c1)Cl)F
  • InChi: 1S/C18H14ClFN4O/c1-11(25)22-13-4-2-3-12(7-13)17-9-21-10-18(24-17)23-14-5-6-16(20)15(19)8-14/h2-10H,1H3,(H,22,25)(H,23,24)
  • InChiKey: GXUCGIAWJYEQOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[6-(3-chloro-4-fluoro-anilino)pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-(3-chloro-4-fluoroanilino)-2-pyrazinyl]phenyl]acetamide
  • N-[3-[6-[(3-chloro-4-fluoro-phenyl)amino]pyrazin-2-yl]phenyl]ethanamide
  • N-[3-[6-[(3-chloro-4-fluorophenyl)amino]pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-[(3-chloro-4-fluoro-phenyl)amino]pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-[(3-chloro-4-fluorophenyl)amino]-2-pyrazinyl]phenyl]acetamide

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 apurinic/apyrimidinic endonuclease, putative 0.0019 0.0515 0.492
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0728 0.0833
Leishmania major threonyl-tRNA synthetase, putative 0.0031 0.1047 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0728 0.6956
Mycobacterium ulcerans glycyl-tRNA synthetase 0.0031 0.1047 0.2144
Brugia malayi Pre-SET motif family protein 0.003 0.0996 0.1138
Schistosoma mansoni ap endonuclease 0.0019 0.0515 0.1265
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.1047 1
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0031 0.1047 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0996 0.2444
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0031 0.1047 1
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0031 0.1047 0.1744
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0996 0.2444
Toxoplasma gondii seryl-tRNA synthetase, cytoplasmic, putative 0.0012 0.0236 0.2257
Mycobacterium ulcerans hypothetical protein 0.0023 0.0728 0.1491
Loa Loa (eye worm) hypothetical protein 0.003 0.0996 0.1138
Brugia malayi Met-10+ like-protein 0.0087 0.3535 0.404
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0515 0.0589
Plasmodium falciparum threonine--tRNA ligase 0.0031 0.1047 0.257
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0118 0.4885 1
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0018 0.0508 0.4851
Brugia malayi seryl-tRNA synthetase, mitochondrial precursor, putative 0.0012 0.0236 0.027
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0996 0.2444
Plasmodium falciparum histidine--tRNA ligase, putative 0.0018 0.0508 0.1247
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.1047 0.257
Echinococcus granulosus Seryl tRNA Synthetase 0.0012 0.0236 0.058
Schistosoma mansoni prolyl-tRNA synthetase 0.01 0.4074 1
Plasmodium falciparum serine--tRNA ligase, putative 0.0012 0.0236 0.058
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0018 0.0508 0.4851
Plasmodium vivax threonine--tRNA ligase, putative 0.0031 0.1047 0.257
Onchocerca volvulus 0.003 0.0996 0.0996
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0468 0.1323
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0728 0.0833
Echinococcus multilocularis seryl tRNA synthetase, mitochondrial 0.0012 0.0236 0.058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0996 0.2444
Plasmodium vivax proline--tRNA ligase, putative 0.0031 0.1047 0.257
Leishmania major seryl-tRNA synthetase, putative 0.0012 0.0236 0.2257
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0515 0.1265
Loa Loa (eye worm) hypothetical protein 0.0018 0.0468 0.0535
Brugia malayi probable proline-trna synthetase - fission yeast, putative 0.0118 0.4885 0.5583
Schistosoma mansoni seryl-tRNA synthetase 0.0012 0.0236 0.058
Trypanosoma brucei glycyl-tRNA synthetase, putative 0.0031 0.1047 1
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.0012 0.0236 0.0236
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.1047 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0426 0.1204
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0515 0.492
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0728 0.1491
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0996 0.2444
Trypanosoma brucei seryl-tRNA synthetase 0.0012 0.0236 0.2257
Chlamydia trachomatis histidine--tRNA ligase 0.0018 0.0508 0.0584
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0031 0.1047 0.2962
Echinococcus granulosus glycyl tRNA synthetase 0.0031 0.1047 0.257
Plasmodium falciparum proline--tRNA ligase, putative 0.01 0.4074 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0728 0.6956
Plasmodium vivax SET domain protein, putative 0.003 0.0996 0.2444
Toxoplasma gondii serine--tRNA ligase 0.0012 0.0236 0.2257
Schistosoma mansoni threonyl-tRNA synthetase 0.0018 0.0508 0.1247
Brugia malayi Sars1 protein 0.0012 0.0236 0.027
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0468 0.1148
Loa Loa (eye worm) hypothetical protein 0.0031 0.1047 0.1197
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0031 0.1047 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0728 0.6956
Trichomonas vaginalis seryl-tRNA synthetase, putative 0.0012 0.0236 0.0236
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0728 0.2061
Toxoplasma gondii glycyl-tRNA synthetase 0.0031 0.1047 1
Brugia malayi glycyl-tRNA synthetase 0.0031 0.1047 0.1197
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0031 0.1047 0.257
Plasmodium falciparum glycine--tRNA ligase 0.0018 0.0508 0.1247
Loa Loa (eye worm) hypothetical protein 0.0023 0.0728 0.0833
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0468 0.0498
Schistosoma mansoni histidyl-tRNA synthetase 0.0018 0.0508 0.1247
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0031 0.1047 0.1197
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0515 0.492
Leishmania major glycyl tRNA synthetase, putative 0.0018 0.0508 0.4851
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0031 0.1047 0.1197
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0728 0.6956
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0426 0.1204
Echinococcus multilocularis Seryl tRNA Synthetase 0.0012 0.0236 0.058
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0728 0.6956
Entamoeba histolytica seryl-tRNA synthetase, putative 0.0012 0.0236 0.2257
Plasmodium vivax proline--tRNA ligase, putative 0.01 0.4074 1
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0031 0.1047 0.2144
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0031 0.1047 1
Trypanosoma brucei histidyl-tRNA synthetase 0.0018 0.0508 0.4851
Trichomonas vaginalis seryl-tRNA synthetase, putative 0.0012 0.0236 0.0236
Brugia malayi Pre-SET motif family protein 0.0206 0.8749 1
Giardia lamblia Glycyl-tRNA synthetase 0.0031 0.1047 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0728 0.0833
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0031 0.1047 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0468 0.1148
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0728 0.6956
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0031 0.1047 0.1047
Leishmania major histidyl-tRNA synthetase, putative 0.0018 0.0508 0.4851
Schistosoma mansoni threonyl-tRNA synthetase 0.0012 0.0236 0.058
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.8749 1
Echinococcus granulosus Threonyl tRNA synthetase C 0.0031 0.1047 0.257
Treponema pallidum glycyl-tRNA synthetase 0.0018 0.0508 0.0584
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0728 0.1491
Toxoplasma gondii histidyl-tRNA synthetase (HisRS), putative 0.0018 0.0508 0.4851
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0515 0.1265
Loa Loa (eye worm) histidyl-tRNA synthetase 0.0018 0.0508 0.0581
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0515 0.0515
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.1047 0.257
Echinococcus multilocularis histidyl tRNA synthetase 0.0018 0.0508 0.1247
Trypanosoma cruzi histidyl-tRNA synthetase 0.0018 0.0508 0.4851
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0031 0.1047 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0948 0.2327
Schistosoma mansoni glycyl-tRNA synthetase 0.0031 0.1047 0.257
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0996 0.9508
Mycobacterium tuberculosis Probable prolyl-tRNA synthetase ProS (proline--tRNA ligase) (PRORS) (global RNA synthesis factor) (proline translase) 0.0087 0.3535 1
Wolbachia endosymbiont of Brugia malayi histidyl-tRNA synthetase 0.0018 0.0508 0.0584
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.1047 0.1047
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.1047 0.1197
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0515 0.0589
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.1047 0.257
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0515 0.1265
Mycobacterium ulcerans seryl-tRNA synthetase 0.0012 0.0236 0.0484
Treponema pallidum threonyl-tRNA synthetase 0.0031 0.1047 0.1744
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0728 0.1491
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0031 0.1047 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0728 0.2061
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0031 0.1047 1
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0031 0.1047 1
Schistosoma mansoni ap endonuclease 0.0019 0.0515 0.1265
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase 0.0118 0.4885 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.1047 0.257
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0728 0.1491
Treponema pallidum prolyl-tRNA synthetase 0.0118 0.4885 1
Plasmodium falciparum serine--tRNA ligase, putative 0.0012 0.0236 0.058
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0728 0.6956
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0728 0.0833
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0031 0.1047 1
Trichomonas vaginalis set domain proteins, putative 0.0234 1 1
Toxoplasma gondii anticodon binding domain-containing protein 0.0018 0.0508 0.4851
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.0018 0.0508 0.0508
Onchocerca volvulus 0.0023 0.0728 0.0728
Toxoplasma gondii tRNA ligase class II core domain (G, H, P, S and T) domain-containing protein 0.0012 0.0236 0.2257
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0031 0.1047 1
Entamoeba histolytica seryl-tRNA synthetase, putative 0.0012 0.0236 0.2257
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0515 0.492
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0031 0.1047 0.1197
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0515 0.06
Echinococcus granulosus histidyl tRNA synthetase 0.0018 0.0508 0.1247
Plasmodium vivax histidine--tRNA ligase, putative 0.0018 0.0508 0.1247
Loa Loa (eye worm) hypothetical protein 0.0018 0.0468 0.0535
Entamoeba histolytica glycyl-tRNA synthetase, putative 0.0031 0.1047 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0468 0.0535
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0515 0.3439
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0515 0.1055
Schistosoma mansoni histidyl-tRNA synthetase 0.0018 0.0508 0.1247
Loa Loa (eye worm) hypothetical protein 0.0018 0.0468 0.0535
Chlamydia trachomatis threonine--tRNA ligase 0.0031 0.1047 0.1744
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0515 0.1458
Trypanosoma cruzi seryl-tRNA synthetase 0.0012 0.0236 0.2257
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0426 0.1204
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0996 0.2444
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.1047 0.1197
Plasmodium vivax glycine--tRNA ligase, putative 0.0031 0.1047 0.257
Loa Loa (eye worm) seryl-tRNA synthetase 0.0012 0.0236 0.027
Loa Loa (eye worm) hypothetical protein 0.0018 0.0468 0.0535
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0728 0.1491
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0515 0.1265
Plasmodium vivax serine--tRNA ligase, putative 0.0012 0.0236 0.058
Chlamydia trachomatis proline--tRNA ligase 0.0118 0.4885 1
Mycobacterium ulcerans histidyl-tRNA synthetase 0.0018 0.0508 0.104
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0515 0.0515
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0728 0.6956
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0996 0.2444
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0728 0.1491
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0468 0.0958
Loa Loa (eye worm) hypothetical protein 0.0023 0.0728 0.0833
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0426 0.1204
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0515 0.06
Echinococcus multilocularis prolyl tRNA synthetase, mitochondrial 0.01 0.4074 1
Loa Loa (eye worm) Sars1 protein 0.0012 0.0236 0.027
Plasmodium vivax serine--tRNA ligase, putative 0.0012 0.0236 0.058
Entamoeba histolytica histidyl-tRNA synthetase, putative 0.0018 0.0508 0.4851
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0031 0.1047 1
Echinococcus multilocularis glycyl tRNA synthetase 0.0031 0.1047 0.257
Loa Loa (eye worm) hypothetical protein 0.0031 0.1047 0.1197
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0515 0.492
Echinococcus granulosus seryl tRNA synthetase mitochondrial 0.0012 0.0236 0.058
Giardia lamblia Threonyl-tRNA synthetase 0.0031 0.1047 1
Echinococcus granulosus prolyl tRNA synthetase mitochondrial 0.01 0.4074 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4885 0.5583
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.1047 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0728 0.1491
Trichomonas vaginalis interferon-induced, double-stranded RNA-activated protein kinase, putative 0.0018 0.0508 0.0508
Toxoplasma gondii exonuclease III APE 0.0019 0.0515 0.492
Schistosoma mansoni seryl-tRNA synthetase 0.0012 0.0236 0.058
Plasmodium falciparum proline--tRNA ligase 0.0031 0.1047 0.257

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB ChEMBL. 16392826
IC50 (binding) > 100 uM Inhibitory activity against human B-RAF ChEMBL. 16392826
IC50 (binding) > 100 uM Inhibitory activity against human B-RAF ChEMBL. 16392826

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.