Detailed information for compound 902087

Basic information

Technical information
  • TDR Targets ID: 902087
  • Name: 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5- yl]-2-methoxybenzamide
  • MW: 396.802 | Formula: C20H14ClFN4O2
  • H donors: 1 H acceptors: 3 LogP: 4.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F)Cl
  • InChi: 1S/C20H14ClFN4O2/c1-28-19-9-2-12(21)10-16(19)20(27)23-14-5-8-17-18(11-14)25-26(24-17)15-6-3-13(22)4-7-15/h2-11H,1H3,(H,23,27)
  • InChiKey: KAHKQSBLAKJYGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-benzamide
  • 5-chloro-N-[2-(4-fluorophenyl)-5-benzotriazolyl]-2-methoxybenzamide
  • EU-0038591
  • Oprea1_040576
  • ZINC01207575

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
Loa Loa (eye worm) hexokinase 0.0055 0.0866 0.1707
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.3579 0.3294
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0296 0.0437
Brugia malayi jmjC domain containing protein 0.0105 0.2632 0.5439
Echinococcus granulosus geminin 0.0186 0.5501 1
Leishmania major DNA polymerase eta, putative 0.007 0.1413 0.4669
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.3112 0.2806
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0501 0.0814
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0425 0.0673
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0762 0.0352
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0296 0.0437
Schistosoma mansoni jumonji domain containing protein 0.0083 0.187 0.3329
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0296 0.0503
Toxoplasma gondii thioredoxin reductase 0.0052 0.0762 0.359
Echinococcus multilocularis geminin 0.0186 0.5501 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0762 0.1292
Trypanosoma brucei hexokinase, putative 0.0087 0.2017 0.7349
Leishmania major hexokinase, putative 0.0087 0.2017 0.7402
Plasmodium falciparum glutathione reductase 0.0052 0.0762 0.0707
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.3112 0.2806
Trichomonas vaginalis chromobox protein, putative 0.0076 0.163 0.629
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0105 0.2632 0.4728
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.2592 1
Schistosoma mansoni hexokinase 0.0087 0.2017 0.3599
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.1263 0.2545
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0425 0.0673
Brugia malayi chromobox protein homolog 3 0.0043 0.0442 0.0812
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0313 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2592 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Trypanosoma brucei hexokinase 0.0087 0.2017 0.7349
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.038 0.1643
Trypanosoma brucei polo-like protein kinase 0.0104 0.2592 1
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0762 0.0707
Onchocerca volvulus 0.0087 0.2017 0.4141
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.163 0.3322
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0313 1 1
Brugia malayi hexokinase 0.0087 0.2017 0.4141
Toxoplasma gondii hexokinase 0.0087 0.2017 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0313 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0404
Echinococcus multilocularis hexokinase 0.0087 0.2017 0.3599
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0425 0.0201
Brugia malayi Hexokinase family protein 0.0055 0.0866 0.1707
Schistosoma mansoni hypothetical protein 0.0186 0.5501 1
Entamoeba histolytica hexokinase 1 0.0087 0.2017 0.742
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0313 1 1
Onchocerca volvulus 0.0055 0.0866 0.1707
Schistosoma mansoni hypothetical protein 0.0037 0.0249 0.0351
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0425 0.0673
Plasmodium falciparum hexokinase 0.0087 0.2017 0.197
Brugia malayi Heterochromatin protein 1 0.0076 0.163 0.3322
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0762 0.1292
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0557 0.2151
Onchocerca volvulus 0.0166 0.4789 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0861 0.1697
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0861 0.1697
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0425 0.1638
Onchocerca volvulus 0.0034 0.0115 0.012
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0425 0.0673
Trypanosoma cruzi hexokinase, putative 0.0087 0.2017 0.7402
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0442 0.0812
Echinococcus multilocularis hexokinase 0.0087 0.2017 0.3599
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0313 1 1
Loa Loa (eye worm) hexokinase 0.0087 0.2017 0.4141
Echinococcus granulosus chromobox protein 1 0.0076 0.163 0.2888
Echinococcus granulosus dna polymerase eta 0.007 0.1413 0.2489
Loa Loa (eye worm) hexokinase 0.0087 0.2017 0.4141
Loa Loa (eye worm) hypothetical protein 0.0166 0.4789 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Echinococcus multilocularis hexokinase 0.0087 0.2017 0.3599
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.3112 0.2806
Brugia malayi jmjC domain containing protein 0.0039 0.0296 0.0503
Schistosoma mansoni chromobox protein 0.0076 0.163 0.2888
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0425 0.0201
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0313 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.2592 0.4655
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0425 0.1638
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.2592 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2592 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0861 0.1697
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0249 0.0404
Treponema pallidum hexokinase (hxk) 0.0087 0.2017 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.007 0.1413 0.2863
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Echinococcus granulosus dna polymerase kappa 0.0042 0.0425 0.0673
Echinococcus multilocularis chromobox protein 1 0.0076 0.163 0.2888
Leishmania major trypanothione reductase 0.0052 0.0762 0.1725
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0762 0.1487
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0425 0.0201
Loa Loa (eye worm) hypothetical protein 0.006 0.1035 0.2064
Echinococcus granulosus hexokinase 0.0087 0.2017 0.3599
Schistosoma mansoni DNA polymerase eta 0.007 0.1413 0.2489
Brugia malayi glutathione reductase 0.0052 0.0762 0.1487
Schistosoma mansoni kinase 0.0053 0.079 0.1344
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0425 0.0267
Loa Loa (eye worm) hypothetical protein 0.0055 0.0866 0.1708
Loa Loa (eye worm) hypothetical protein 0.0043 0.0442 0.0812
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0425 0.0201
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0762 0.1725
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.1413 0.4669
Brugia malayi hypothetical protein 0.0166 0.4789 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.3112 0.2806
Echinococcus multilocularis dna polymerase eta 0.007 0.1413 0.2489
Trypanosoma brucei DNA polymerase eta, putative 0.007 0.1413 0.456
Trypanosoma cruzi hexokinase, putative 0.0087 0.2017 0.7402
Leishmania major DNA polymerase kappa, putative 0.0042 0.0425 0.0201
Loa Loa (eye worm) hypothetical protein 0.007 0.1413 0.2863
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0105 0.2632 0.4728
Schistosoma mansoni chromobox protein 0.0076 0.163 0.2888
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0741 0.286
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.3559 0.7399
Onchocerca volvulus Hexokinase homolog 0.0055 0.0866 0.1707
Trichomonas vaginalis chromobox protein, putative 0.0076 0.163 0.629
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.3559 0.7399
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.2592 0.4655
Loa Loa (eye worm) hexokinase type II 0.0087 0.2017 0.4141
Plasmodium vivax hexokinase, putative 0.0087 0.2017 0.197
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.2592 0.5355
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.3579 0.3294
Echinococcus granulosus hexokinase 0.0087 0.2017 0.3599
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0442 0.1707
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.2592 0.5355
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0557 0.2151
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0425 0.0201
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.3112 0.2806
Echinococcus multilocularis chromobox protein 1 0.0076 0.163 0.2888
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0501 0.0814
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0741 0.286
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.2592 0.5355
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0296 0.0437
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2592 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0557 0.1055
Loa Loa (eye worm) glutathione reductase 0.0052 0.0762 0.1487
Trypanosoma brucei hexokinase 0.0087 0.2017 0.7349
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.3579 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0296 0.0437
Mycobacterium tuberculosis Probable reductase 0.0118 0.3112 0.2806
Onchocerca volvulus 0.0087 0.2017 0.4141
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0425 0.0673
Loa Loa (eye worm) hypothetical protein 0.0034 0.0115 0.012
Onchocerca volvulus 0.0087 0.2017 0.4141
Leishmania major hexokinase, putative 0.0087 0.2017 0.7402
Brugia malayi Thioredoxin reductase 0.0052 0.0762 0.1487
Echinococcus granulosus hexokinase type 2 0.0087 0.2017 0.3599
Loa Loa (eye worm) hypothetical protein 0.0055 0.0861 0.1697
Schistosoma mansoni hypothetical protein 0.0186 0.5501 1
Brugia malayi Hexokinase family protein 0.0087 0.2017 0.4141
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0425 0.0774
Echinococcus granulosus chromobox protein 1 0.0076 0.163 0.2888
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.3579 0.3294
Echinococcus granulosus hexokinase 0.0087 0.2017 0.3599
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0425 0.0774
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0313 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0442 0.1707
Trypanosoma brucei trypanothione reductase 0.0052 0.0762 0.1555
Giardia lamblia DINP protein human, muc B family 0.0042 0.0425 0.1446
Plasmodium vivax glutathione reductase, putative 0.0052 0.0762 0.0707
Entamoeba histolytica hexokinase 2 0.0087 0.2017 0.742
Giardia lamblia Kinase, PLK 0.0104 0.2592 1
Echinococcus multilocularis hexokinase type 2 0.0087 0.2017 0.3599
Plasmodium falciparum thioredoxin reductase 0.0052 0.0762 0.0707
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.2592 0.4655
Brugia malayi MH2 domain containing protein 0.0131 0.3559 0.7399

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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