Detailed information for compound 837798

Basic information

Technical information
  • TDR Targets ID: 837798
  • Name: N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3- yl]-3-ethoxybenzamide
  • MW: 425.478 | Formula: C23H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 4.65 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1cc(ccc1OCCC)c1nonc1NC(=O)c1cccc(c1)OCC
  • InChi: 1S/C23H27N3O5/c1-4-12-29-19-11-10-16(15-20(19)30-13-5-2)21-22(26-31-25-21)24-23(27)17-8-7-9-18(14-17)28-6-3/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,24,26,27)
  • InChiKey: UUEZTVVASYFTRS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(3,4-dipropoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-ethoxy-benzamide
  • N-[4-(3,4-dipropoxyphenyl)furazan-3-yl]-3-ethoxy-benzamide

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 C2-HC type zinc finger protein C.e-MyT1 0.0109 0.0765 0.0729
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0475 0.1769
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0043 0.0097 0.1345
Toxoplasma gondii LsmAD domain-containing protein 0.0175 0.1428 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0043 0.0097 0.0222
Loa Loa (eye worm) hypothetical protein 0.0175 0.1428 0.1394
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0051 0.0344
Brugia malayi Probable ClpP-like protease 0.008 0.0475 0.0438
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0043 0.0097 0.0059
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0386 0.0993
Trypanosoma cruzi PAB1-binding protein , putative 0.0175 0.1428 1
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0043 0.0097 0.0363
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0096 0.0632 0.0595
Echinococcus multilocularis ornithine aminotransferase 0.0043 0.0097 0.0075
Schistosoma mansoni ap endonuclease 0.0038 0.0051 0.0012
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0043 0.0097 0.0363
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0043 0.0097 0.0363
Loa Loa (eye worm) hypothetical protein 0.0102 0.0696 0.066
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 0.1648
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0386 0.0349
Schistosoma mansoni hypothetical protein 0.0102 0.0696 0.066
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0043 0.0097 0.0363
Plasmodium falciparum ataxin-2 like protein, putative 0.0175 0.1428 1
Schistosoma mansoni hypothetical protein 0.0047 0.0144 0.0106
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.03 0.2683 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0197 0.0734
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0043 0.0097 0.0422
Schistosoma mansoni hypothetical protein 0.0078 0.0458 0.0421
Brugia malayi mbt repeat family protein 0.0096 0.0632 0.0595
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.2034 0.5697
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0051 0.0086
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0385 0.3541 0.4497
Plasmodium vivax ornithine aminotransferase, putative 0.0043 0.0097 0.0339
Echinococcus multilocularis GPCR, family 2 0.0047 0.0144 0.0135
Echinococcus multilocularis Aminotransferase class III 0.0043 0.0097 0.0075
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0051 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0129 0.0091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0129 0.0091
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0043 0.0097 0.0222
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0051 0.0045
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.03 0.2683 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0129 0.0258
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0144 0.0106
Loa Loa (eye worm) hypothetical protein 0.008 0.0475 0.0438
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0144 0.0135
Loa Loa (eye worm) MBCTL1 0.0109 0.0765 0.0729
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0051 0.0034
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0197 0.0734
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0043 0.0097 0.0363
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0129 0.0116
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0051 0.0086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0144 0.0301
Echinococcus granulosus SAM and MBT domain containing protein 0.0096 0.0632 0.1694
Loa Loa (eye worm) hypothetical protein 0.0109 0.0765 0.0729
Brugia malayi hypothetical protein 0.0235 0.2034 0.2003
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 0.1648
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.0696 0.066
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0386 0.0446
Brugia malayi hypothetical protein 0.0175 0.1428 0.1394
Echinococcus multilocularis SAM and MBT domain containing protein 0.0096 0.0632 0.0762
Echinococcus granulosus ornithine aminotransferase 0.0043 0.0097 0.0167
Brugia malayi mbt repeat family protein 0.0096 0.0632 0.0595
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0051 0.0012
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0043 0.0097 0.0059
Trypanosoma cruzi PAB1-binding protein , putative 0.0175 0.1428 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0475 0.3139
Loa Loa (eye worm) hypothetical protein 0.0047 0.0144 0.0106
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0144 0.0135
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0144 0.0106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.1171 0.1137
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0051 0.0045
Echinococcus multilocularis ornithine aminotransferase 0.0043 0.0097 0.0075
Schistosoma mansoni survival motor neuron protein 0.0048 0.0151 0.0113
Trypanosoma brucei PAB1-binding protein , putative 0.0175 0.1428 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0129 0.0091
Entamoeba histolytica hypothetical protein 0.0071 0.0386 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0129 0.0091
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0051 0.0045
Schistosoma mansoni hypothetical protein 0.0047 0.0144 0.0106
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0051 0.0012
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0078 0.0458 0.1196
Schistosoma mansoni sex comb on midleg homolog 0.0096 0.0632 0.0595
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0109 0.0765 0.0933
Entamoeba histolytica hypothetical protein 0.0071 0.0386 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0043 0.0097 0.0222
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0475 0.0438
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.1027 1 1
Schistosoma mansoni hypothetical protein 0.0048 0.0151 0.0113
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0197 0.0452
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0811 0.7827 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0129 0.0091
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0051 0.0189
Echinococcus multilocularis polycomb protein SCMH1 0.0096 0.0632 0.0762
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.03 0.2683 1
Schistosoma mansoni hypothetical protein 0.059 0.56 0.5583
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0475 0.3079
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0144 0.0301
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0151 0.0113
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0475 0.056
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0051 0.0086
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0043 0.0097 0.0222
Loa Loa (eye worm) hypothetical protein 0.0235 0.2034 0.2003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0129 0.0116
Echinococcus multilocularis histone acetyltransferase MYST2 0.0109 0.0765 0.0933
Echinococcus granulosus histone acetyltransferase MYST2 0.0109 0.0765 0.2074
Onchocerca volvulus 0.0096 0.0632 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0144 0.0106
Leishmania major hypothetical protein, conserved 0.0175 0.1428 1
Brugia malayi hypothetical protein 0.0071 0.0386 0.0349
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.2034 0.2562
Brugia malayi hypothetical protein 0.0113 0.0804 0.0768
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0475 0.1245
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0197 0.0734
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0051 0.0086
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0385 0.3541 1
Toxoplasma gondii exonuclease III APE 0.0038 0.0051 0.0086
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0109 0.0765 0.2074
Plasmodium falciparum ataxin-2 like protein, putative 0.0175 0.1428 1
Schistosoma mansoni hypothetical protein 0.0047 0.0144 0.0106
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0043 0.0097 0.0363
Schistosoma mansoni ap endonuclease 0.0038 0.0051 0.0012
Echinococcus granulosus Aminotransferase class III 0.0043 0.0097 0.0167
Plasmodium falciparum ornithine aminotransferase 0.0043 0.0097 0.0339
Schistosoma mansoni hypothetical protein 0.0071 0.0386 0.0349
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.03 0.2683 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0129 0.0258
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 1
Schistosoma mansoni sex comb on midleg homolog 0.0096 0.0632 0.0595
Echinococcus granulosus GPCR family 2 0.0047 0.0144 0.0301
Plasmodium vivax ataxin-2 like protein, putative 0.0175 0.1428 1
Mycobacterium tuberculosis Probable aminotransferase 0.03 0.2683 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.1171 0.1137
Mycobacterium ulcerans acetylornithine aminotransferase 0.0043 0.0097 0.0222
Schistosoma mansoni hypothetical protein 0.0047 0.0144 0.0106
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0051 0.0274
Mycobacterium ulcerans hypothetical protein 0.03 0.2683 1
Loa Loa (eye worm) mbt repeat family protein 0.0096 0.0632 0.0595
Schistosoma mansoni myelin transcription factor 1 myt1 0.0109 0.0765 0.0729
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.0632 0.0595
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0475 0.3139
Entamoeba histolytica hypothetical protein 0.0071 0.0386 1
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0043 0.0097 0.0363
Echinococcus granulosus polycomb protein SCMH1 0.0096 0.0632 0.1694
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0078 0.0458 0.0538
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0475 0.3079
Schistosoma mansoni serine/threonine protein kinase 0.1027 1 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0043 0.0097 0.0222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.1171 0.1137
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0197 0.0203
Loa Loa (eye worm) hypothetical protein 0.0149 0.1171 0.1137
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0096 0.0632 1
Entamoeba histolytica hypothetical protein 0.0071 0.0386 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.44 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 0.4442 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 15 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 88.2 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 106.8 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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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