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

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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