Detailed information for compound 617541

Basic information

Technical information
  • TDR Targets ID: 617541
  • Name: 3,4,5-trimethoxy-N-[2-[2-(4-methoxyphenyl)-4- methyl-1,3-thiazol-5-yl]ethyl]benzamide
  • MW: 442.528 | Formula: C23H26N2O5S
  • H donors: 1 H acceptors: 2 LogP: 4.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc(c(s1)CCNC(=O)c1cc(OC)c(c(c1)OC)OC)C
  • InChi: 1S/C23H26N2O5S/c1-14-20(31-23(25-14)15-6-8-17(27-2)9-7-15)10-11-24-22(26)16-12-18(28-3)21(30-5)19(13-16)29-4/h6-9,12-13H,10-11H2,1-5H3,(H,24,26)
  • InChiKey: IWMQVNFCDHBEBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4,5-trimethoxy-N-[2-[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]ethyl]benzamide
  • 3,4,5-trimethoxy-N-[2-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]ethyl]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
Loa Loa (eye worm) TAR-binding protein 0.0128 0.5399 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1048 0.1048
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5399 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.5399 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1048 0.1048
Plasmodium falciparum thioredoxin reductase 0.0038 0.1155 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.3871 1
Brugia malayi RNA binding protein 0.0128 0.5399 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4968 0.9009
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.1155 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1048 0.1048
Onchocerca volvulus 0.0035 0.1048 0.5
Brugia malayi TAR-binding protein 0.0128 0.5399 1
Brugia malayi Thioredoxin reductase 0.0038 0.1155 0.214
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4968 0.9009
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1179 0.2184
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.1155 0.0246
Mycobacterium tuberculosis Probable reductase 0.0086 0.3421 0.3421
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.3871 0.3871
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Onchocerca volvulus 0.0035 0.1048 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.3421 0.3421
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.3421 0.8405
Leishmania major hypothetical protein, conserved 0.0035 0.1048 0.9074
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1179 0.2184
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1048 0.9074
Loa Loa (eye worm) RNA binding protein 0.0128 0.5399 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1048 0.1942
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.3421 0.3421
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1048 0.1048
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.3421 0.3421
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5399 1
Leishmania major trypanothione reductase 0.0038 0.1155 1
Treponema pallidum NADH oxidase 0.0013 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1048 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.1155 0.1155
Toxoplasma gondii ABC1 family protein 0.0035 0.1048 0.9074
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1048 0.9074
Plasmodium falciparum glutathione reductase 0.0038 0.1155 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.3421 0.3421
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1048 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1048 0.1048
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.3871 0.3871
Echinococcus granulosus tar DNA binding protein 0.0128 0.5399 1
Trichomonas vaginalis esterase, putative 0.0035 0.1048 1
Brugia malayi beta-lactamase family protein 0.0035 0.1048 0.1942
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5399 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.5399 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1048 1
Brugia malayi beta-lactamase family protein 0.0035 0.1048 0.1942
Brugia malayi beta-lactamase 0.0035 0.1048 0.1942
Mycobacterium ulcerans hypothetical protein 0.0035 0.1048 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.3871 0.3871
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.1155 1
Trypanosoma brucei trypanothione reductase 0.0038 0.1155 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.5399 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1048 0.1942
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1048 0.1942
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1048 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1048 0.1048
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1048 0.1942
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.3421 0.3421
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5399 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1048 0.1942
Onchocerca volvulus 0.0035 0.1048 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.1048 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1048 0.9074
Brugia malayi glutathione reductase 0.0038 0.1155 0.214
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.1048 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5399 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.1155 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1048 0.9074
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0038 0.1155 1
Brugia malayi MH2 domain containing protein 0.0119 0.4968 0.9201
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Loa Loa (eye worm) glutathione reductase 0.0038 0.1155 0.0246
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1048 0.1048
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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