Detailed information for compound 874471

Basic information

Technical information
  • TDR Targets ID: 874471
  • Name: ethyl 4-(1,2-benzoxazol-3-ylmethylcarbamoylam ino)benzoate
  • MW: 339.345 | Formula: C18H17N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)NCc1noc2c1cccc2
  • InChi: 1S/C18H17N3O4/c1-2-24-17(22)12-7-9-13(10-8-12)20-18(23)19-11-15-14-5-3-4-6-16(14)25-21-15/h3-10H,2,11H2,1H3,(H2,19,20,23)
  • InChiKey: YMORZKOWXOFZBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(1,2-benzoxazol-3-ylmethylamino)-oxomethyl]amino]benzoic acid ethyl ester
  • 4-(indoxazen-3-ylmethylcarbamoylamino)benzoic acid ethyl ester

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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.1975 0.2985
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0025 0.0451 0.0451
Mycobacterium tuberculosis Probable reductase 0.0116 0.5846 0.8837
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0076 0.3494 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.6615 1
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0025 0.0451 0.0451
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0186 1 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0076 0.3494 0.3494
Echinococcus multilocularis ubiquitin specific protease 41 0.0186 1 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0076 0.3494 0.3393
Brugia malayi DNA polymerase delta catalytic subunit 0.0076 0.3494 0.3494
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0025 0.0451 0.0451
Brugia malayi Thioredoxin reductase 0.0051 0.1975 0.1975
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0451 0.0451
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0153 0.0153
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0451 0.0451
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0186 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0186 1 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0186 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0186 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0186 1 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.1975 0.185
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0153 0.0153
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0153 0.0437
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0153 0.0153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.2133 0.2133
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.6615 1
Plasmodium vivax DNA polymerase alpha, putative 0.0025 0.0451 0.1292
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.5846 0.8837
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0186 1 1
Echinococcus granulosus ubiquitin specific protease 41 0.0186 1 1
Echinococcus multilocularis geminin 0.0182 0.9781 0.9781
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0037 0.1127 0.0989
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.2133 0.2133
Trypanosoma brucei trypanothione reductase 0.0051 0.1975 0.1975
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0186 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1975 0.5651
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0076 0.3494 0.3494
Schistosoma mansoni hypothetical protein 0.0182 0.9781 0.9781
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0076 0.3494 0.3494
Echinococcus granulosus geminin 0.0182 0.9781 0.9781
Toxoplasma gondii thioredoxin reductase 0.0051 0.1975 0.5651
Entamoeba histolytica hypothetical protein 0.0039 0.1252 0.1116
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.6615 1
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0076 0.3494 0.3494
Schistosoma mansoni hypothetical protein 0.0182 0.9781 0.9781
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0076 0.3494 0.3494
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0153 0.0153
Plasmodium vivax glutathione reductase, putative 0.0051 0.1975 0.5651
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1975 0.1975
Brugia malayi glutathione reductase 0.0051 0.1975 0.1975
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1975 0.1975
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0153 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0186 1 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0025 0.0451 0.0451
Schistosoma mansoni ap endonuclease 0.002 0.0153 0.0153
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0076 0.3494 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1252 0.1252
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1127 0.1127
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0153 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0 0.5
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0076 0.3494 1
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0025 0.0451 0.0451
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1252 0.1252
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0153 0.0153
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0153 0.0153
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.5846 0.8837
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0451 0.0451
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1252 0.1252
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0153 0.0153
Toxoplasma gondii DNA polymerase family B protein 0.0025 0.0451 0.1292
Entamoeba histolytica hypothetical protein 0.0039 0.1252 0.1116
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0025 0.0451 0.1292
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0076 0.3494 0.3494
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0186 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0153 0.0231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.2133 0.2011
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0025 0.0451 0.0451
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.5846 0.8837
Plasmodium falciparum glutathione reductase 0.0051 0.1975 0.5651
Brugia malayi hypothetical protein 0.0039 0.1252 0.1252
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0025 0.0451 0.0451
Toxoplasma gondii DNA polymerase 0.0076 0.3494 1
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0025 0.0451 0.0451
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0062 0.2662 0.2662
Entamoeba histolytica hypothetical protein 0.0039 0.1252 0.1116
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1975 0.1975
Brugia malayi DNA polymerase family B containing protein 0.0025 0.0451 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0186 1 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0186 1 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0054 0.2133 0.2011
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0025 0.0451 0.0451
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0451 0.0451
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0025 0.0451 0.1292
Entamoeba histolytica hypothetical protein 0.0039 0.1252 0.1116
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0076 0.3494 0.3494
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0025 0.0451 0.0451
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0076 0.3494 0.3494
Schistosoma mansoni ap endonuclease 0.002 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0025 0.0451 0.0303
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1975 0.185
Schistosoma mansoni hypothetical protein 0.0037 0.1127 0.1127
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.5846 0.8837
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0153 0.0153
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0025 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0153 0.0153
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0186 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0153 0.0153
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0451 0.0451
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0076 0.3494 0.3393
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0153 0.0437
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0025 0.0451 0.0451
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0025 0.0451 0.0451
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0186 1 1
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0025 0.0451 0.1292
Trichomonas vaginalis DNA polymerase II, putative 0.0025 0.0451 0.0451
Plasmodium falciparum thioredoxin reductase 0.0051 0.1975 0.5651
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0153 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.5846 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.6615 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0186 1 1
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0451 0.0451
Toxoplasma gondii exonuclease III APE 0.002 0.0153 0.0437
Brugia malayi DNA polymerase alpha catalytic subunit 0.0025 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0039 0.1252 0.1252
Leishmania major trypanothione reductase 0.0051 0.1975 0.1975
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0025 0.0451 0.0451

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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