Detailed information for compound 620814

Basic information

Technical information
  • TDR Targets ID: 620814
  • Name: ethyl 1-[(3,4-dichlorophenyl)-(6-hydroxy-2-me thyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-yl) methyl]piperidine-3-carboxylate
  • MW: 469.385 | Formula: C20H22Cl2N4O3S
  • H donors: 1 H acceptors: 4 LogP: 4.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCCN(C1)C(c1sc2n(c1O)nc(n2)C)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C20H22Cl2N4O3S/c1-3-29-19(28)13-5-4-8-25(10-13)16(12-6-7-14(21)15(22)9-12)17-18(27)26-20(30-17)23-11(2)24-26/h6-7,9,13,16,27H,3-5,8,10H2,1-2H3
  • InChiKey: LAKJKZSIPCJVKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[(3,4-dichlorophenyl)-(6-hydroxy-2-methyl-thiazolo[2,3-e][1,2,4]triazol-5-yl)methyl]piperidine-3-carboxylate
  • 1-[(3,4-dichlorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[2,3-e][1,2,4]triazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester
  • 1-[(3,4-dichlorophenyl)-(6-hydroxy-2-methyl-thiazolo[2,3-e][1,2,4]triazol-5-yl)methyl]nipecotic 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 Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.3466 1
Schistosoma mansoni hypothetical protein 0.0015 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0026 0.0559 0.0517
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0 0.5
Loa Loa (eye worm) glutathione reductase 0.0037 0.1035 0.0994
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.3063 0.8837
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.025 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1056 0.1056
Echinococcus granulosus tar DNA binding protein 0.025 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0098 0.0098
Mycobacterium tuberculosis Probable reductase 0.0086 0.3063 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1496 0.1458
Echinococcus multilocularis lamin dm0 0.0026 0.0559 0.0559
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1496 0.1496
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0559 0.0559
Onchocerca volvulus 0.0026 0.0559 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0559 0.0517
Brugia malayi RNA recognition motif domain containing protein 0.025 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0098 0.0098
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.025 1 1
Echinococcus granulosus lamin dm0 0.0026 0.0559 0.0559
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.3466 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.3466 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.3466 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1035 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.3063 0.8837
Brugia malayi TAR-binding protein 0.025 1 1
Schistosoma mansoni tar DNA-binding protein 0.025 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0098 0.0098
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0098 0.0054
Loa Loa (eye worm) hypothetical protein 0.0015 0.0098 0.0054
Echinococcus granulosus lamin 0.0026 0.0559 0.0559
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0098 0.0098
Schistosoma mansoni lamin 0.0026 0.0559 0.0559
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1035 0.2985
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1496 0.1496
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1496 0.1458
Toxoplasma gondii thioredoxin reductase 0.0037 0.1035 1
Schistosoma mansoni hypothetical protein 0.0033 0.0849 0.0849
Loa Loa (eye worm) TAR-binding protein 0.025 1 1
Schistosoma mansoni tar DNA-binding protein 0.025 1 1
Plasmodium falciparum glutathione reductase 0.0037 0.1035 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.3063 0.8837
Echinococcus multilocularis musashi 0.0026 0.0559 0.0559
Plasmodium vivax glutathione reductase, putative 0.0037 0.1035 1
Treponema pallidum NADH oxidase 0.0013 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0098 0.0098
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0 0.5
Echinococcus granulosus intermediate filament protein 0.0026 0.0559 0.0559
Onchocerca volvulus 0.0026 0.0559 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0559 0.0517
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1035 0.0994
Echinococcus multilocularis tar DNA binding protein 0.025 1 1
Echinococcus granulosus GPCR family 2 0.0015 0.0098 0.0098
Brugia malayi intermediate filament protein 0.0026 0.0559 0.0559
Schistosoma mansoni hypothetical protein 0.0015 0.0098 0.0098
Echinococcus multilocularis GPCR, family 2 0.0015 0.0098 0.0098
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1056 0.1056
Loa Loa (eye worm) hypothetical protein 0.0033 0.0849 0.0808
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0849 0.0849
Schistosoma mansoni hypothetical protein 0.0015 0.0098 0.0098
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0098 0.0098
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0045 0.0045
Trypanosoma brucei trypanothione reductase 0.0037 0.1035 1
Schistosoma mansoni tar DNA-binding protein 0.025 1 1
Echinococcus multilocularis lamin 0.0026 0.0559 0.0559
Loa Loa (eye worm) RNA binding protein 0.025 1 1
Brugia malayi glutathione reductase 0.0037 0.1035 0.1035
Trichomonas vaginalis glutathione reductase, putative 0.0013 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1035 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0539 0.0496
Brugia malayi Thioredoxin reductase 0.0037 0.1035 0.1035
Schistosoma mansoni intermediate filament proteins 0.0026 0.0559 0.0559
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.3063 0.8837
Schistosoma mansoni lamin 0.0026 0.0559 0.0559
Trichomonas vaginalis mercuric reductase, putative 0.0013 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.025 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.3063 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0037 0.1035 1
Leishmania major trypanothione reductase 0.0037 0.1035 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0098 0.0098

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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