Detailed information for compound 647031

Basic information

Technical information
  • TDR Targets ID: 647031
  • Name: N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2 -yl]-4-nitrobenzamide
  • MW: 397.448 | Formula: C20H19N3O4S
  • H donors: 1 H acceptors: 4 LogP: 4.77 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1sc(nc1c1ccc(cc1)OC)NC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C20H19N3O4S/c1-3-4-17-18(13-7-11-16(27-2)12-8-13)21-20(28-17)22-19(24)14-5-9-15(10-6-14)23(25)26/h5-12H,3-4H2,1-2H3,(H,21,22,24)
  • InChiKey: AYDQSVDURFJDNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(4-methoxyphenyl)-5-propyl-thiazol-2-yl]-4-nitro-benzamide
  • N-[4-(4-methoxyphenyl)-5-propyl-2-thiazolyl]-4-nitrobenzamide
  • N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitro-benzamide
  • N-[4-(4-Methoxy-phenyl)-5-propyl-thiazol-2-yl]-4-nitro-benzamide
  • ZINC00877671
  • Oprea1_217206
  • BAS 02741042
  • Oprea1_023509

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) hypothetical protein 0.0016 0.1509 0.1427
Schistosoma mansoni nuclear hormone receptor 0.001 0.0097 0.016
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.2517 0.2444
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0097 0.016
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.2517 1
Echinococcus granulosus bloom syndrome protein 0.002 0.2517 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.1509 0.5835
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0096 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.607 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.2517 0.5
Onchocerca volvulus 0.001 0.0097 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0097 0.016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0097 0.016
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.2517 0.2444
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.2517 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.1509 0.1426
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.2517 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0097 0.016
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0097 0.0001
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0097 0.016
Schistosoma mansoni hypothetical protein 0.0016 0.1509 0.2486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0097 0.0001
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.2517 0.2445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0097 0.0001
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.2517 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0096 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0096 0.0000000020559
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.1509 0.1427
Loa Loa (eye worm) hypothetical protein 0.005 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.1509 0.2486
Schistosoma mansoni DNA helicase recq5 0.002 0.2517 0.4147
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0097 0.016
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.2517 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.1509 0.1426
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0097 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0097 0.0001
Brugia malayi Bloom's syndrome protein homolog 0.002 0.2517 0.2444
Schistosoma mansoni coup transcription factor 0.001 0.0097 0.016
Entamoeba histolytica recQ family DNA helicase 0.001 0.0096 0.0381
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0097 0.0001
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.2517 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0097 0.5
Echinococcus multilocularis bloom syndrome protein 0.002 0.2517 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0097 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.1509 0.5835
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.1509 0.2486
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.1509 0.5835
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.2517 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0097 0.0001
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0097 0.016
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0096 0.0158
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Schistosoma mansoni thyroid hormone receptor 0.001 0.0097 0.016
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0097 0.016
Loa Loa (eye worm) RecQ helicase 0.002 0.2517 0.2445
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.607 0.6031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.1509 0.5835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0097 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0097 0.0001
Echinococcus multilocularis GPCR, family 2 0.0016 0.1509 0.5835
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Schistosoma mansoni hypothetical protein 0.0016 0.1509 0.2486
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.2517 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.2517 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0097 0.016
Echinococcus granulosus GPCR family 2 0.0016 0.1509 0.5835
Schistosoma mansoni DNA helicase recq1 0.002 0.2517 0.4147
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.2517 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.2517 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.2517 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2517 0.2445
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0096 0.0381
Loa Loa (eye worm) hypothetical protein 0.001 0.0097 0.0001
Loa Loa (eye worm) hypothetical protein 0.0034 0.607 0.6032
Entamoeba histolytica recQ family helicase, putative 0.002 0.2517 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0097 0.016

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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