Detailed information for compound 1182300

Basic information

Technical information
  • TDR Targets ID: 1182300
  • Name: ethyl 2-[2-[(2-phenylsulfonylacetyl)amino]-1, 3-thiazol-4-yl]acetate
  • MW: 368.428 | Formula: C15H16N2O5S2
  • H donors: 1 H acceptors: 5 LogP: 2.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1csc(n1)NC(=O)CS(=O)(=O)c1ccccc1
  • InChi: 1S/C15H16N2O5S2/c1-2-22-14(19)8-11-9-23-15(16-11)17-13(18)10-24(20,21)12-6-4-3-5-7-12/h3-7,9H,2,8,10H2,1H3,(H,16,17,18)
  • InChiKey: HSROTFIOLUBXTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[2-[(2-phenylsulfonylacetyl)amino]thiazol-4-yl]acetate
  • 2-[2-[(1-oxo-2-phenylsulfonylethyl)amino]-4-thiazolyl]acetic acid ethyl ester
  • 2-[2-[(2-phenylsulfonylacetyl)amino]thiazol-4-yl]acetic acid ethyl ester
  • ethyl 2-[2-(2-phenylsulfonylethanoylamino)-1,3-thiazol-4-yl]ethanoate
  • Oprea1_286869
  • ZINC05189731

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 Probable membrane NADH dehydrogenase NdhA 0.0121 0.132 0.8837
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0051
Echinococcus granulosus microtubule associated protein 2 0.0775 0.9391 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.132 0.8837
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0119 0.1565
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.1487 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.3469 0.8478
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0197 0.0567
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.048 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0197 0.0567
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0399 0.1149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0197 0.0567
Plasmodium vivax glutathione reductase, putative 0.0053 0.048 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.1487 1
Trypanosoma brucei trypanothione reductase 0.0053 0.048 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.048 0.0511
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0197 0.0567
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0092 1
Schistosoma mansoni nuclear hormone receptor 0.003 0.0197 0.0209
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.132 0.8837
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0197 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0197 0.0567
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0197 0.0209
Mycobacterium tuberculosis Probable reductase 0.0121 0.132 0.8837
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0197 0.0197
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0021 0.0022
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0197 0.0209
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0197 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0197 0.0197
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0309 0.3644 0.388
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0119 0.0119
Brugia malayi Importin beta-1 subunit 0.0032 0.0224 0.0646
Schistosoma mansoni importin beta-1 0.0032 0.0224 0.0239
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0119 0.1565
Trichomonas vaginalis ran, putative 0.0024 0.0119 0.6913
Echinococcus multilocularis geminin 0.019 0.2174 0.2174
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0197 0.0567
Leishmania major importin beta-1 subunit, putative 0.0026 0.0149 0.2264
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0052 0.0055
Schistosoma mansoni microtubule-associated protein tau 0.0775 0.9391 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0092 0.0943
Leishmania major trypanothione reductase 0.0053 0.048 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Echinococcus granulosus snurportin 1 0.0346 0.4092 0.4357
Schistosoma mansoni ran 0.0024 0.0119 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0619 0.066
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.132 0.8837
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0197 0.0209
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0197 0.0209
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.048 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0092 0.0098
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0149 0.2264
Plasmodium vivax importin-beta 2, putative 0.0032 0.0224 0.4029
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0197 0.048
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0092 0.6023
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0021 0.0061
Schistosoma mansoni hypothetical protein 0.019 0.2174 0.2315
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0092 0.0943
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0197 0.0567
Brugia malayi nuclear receptor RXR 0.0016 0.0021 0.0061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0197 0.0209
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0224 0.4029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0197 0.048
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.048 0.048
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0619 0.066
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0092 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0149 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0119 0.1565
Echinococcus multilocularis snurportin 1 0.0346 0.4092 0.4092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0399 0.0424
Loa Loa (eye worm) RNA binding protein 0.0064 0.0619 0.1514
Brugia malayi hypothetical protein 0.0016 0.0021 0.0061
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0197 0.0197
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0197 0.0197
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0119 1
Toxoplasma gondii thioredoxin reductase 0.0053 0.048 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0197 0.0209
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.1487 1
Loa Loa (eye worm) glutathione reductase 0.0053 0.048 0.1173
Brugia malayi Thioredoxin reductase 0.0053 0.048 0.1384
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0092 0.0943
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0092 0.4164
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0224 0.4029
Brugia malayi RNA, U transporter 1 0.0092 0.0961 0.2771
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0092 0.0265
Brugia malayi TAR-binding protein 0.0064 0.0619 0.1786
Schistosoma mansoni hypothetical protein 0.0346 0.4092 0.4357
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0197 0.0209
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0197 0.048
Echinococcus granulosus tar DNA binding protein 0.0064 0.0619 0.066
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0119 0.1565
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0197 0.0567
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0092 0.0225
Schistosoma mansoni ap endonuclease 0.0022 0.0092 0.0098
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.1487 1
Toxoplasma gondii exonuclease III APE 0.0022 0.0092 0.0943
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0052 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0197 0.048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0399 0.0424
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0092 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0295 0.3469 1
Plasmodium falciparum thioredoxin reductase 0.0053 0.048 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0424
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0052 0.5
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0119 0.0126
Schistosoma mansoni thyroid hormone receptor 0.003 0.0197 0.0209
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0224 0.0224
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0197 0.0197
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0021 0.0061
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0051
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0224 0.4029
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0119 0.0342
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0309 0.3644 0.3644
Leishmania major GTP-binding protein, putative 0.0024 0.0119 0.1565
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.048 0.2985
Plasmodium falciparum importin beta, putative 0.0032 0.0224 0.4029
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0052 0.0052
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0149 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0051
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0197 0.0567
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0197 0.0209
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0424
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0092 0.0943
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0021 0.0022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0197 0.048
Schistosoma mansoni coup transcription factor 0.003 0.0197 0.0209
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.132 0.8837
Entamoeba histolytica hypothetical protein 0.0026 0.0149 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0197 0.048
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0619 0.066
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.048 0.1173
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0197 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0197 0.048
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0197 0.0567
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0399 0.0974
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0399 0.0399
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0197 0.0567
Brugia malayi steroid hormone receptor 0.003 0.0197 0.0567
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0424
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0197 0.0209
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0197 0.0209
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0021 0.0022
Brugia malayi hypothetical protein 0.0016 0.0021 0.0061
Loa Loa (eye worm) hypothetical protein 0.0032 0.0224 0.0548
Schistosoma mansoni hypothetical protein 0.019 0.2174 0.2315
Echinococcus granulosus FTZ F1 alpha 0.003 0.0197 0.0209
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0197 0.0209
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0399 0.0399
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0197 0.048
Brugia malayi RNA binding protein 0.0064 0.0619 0.1786
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0092 0.4164
Echinococcus granulosus importin subunit beta 1 0.0032 0.0224 0.0239
Entamoeba histolytica Ran family GTPase 0.0024 0.0119 0.4711
Schistosoma mansoni thyroid hormone receptor 0.003 0.0197 0.0209
Plasmodium falciparum glutathione reductase 0.0053 0.048 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0119 0.029
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0197 0.0209
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0021 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0619 0.066
Brugia malayi nuclear receptor NHR-88 0.003 0.0197 0.0567
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0197 0.0209
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0619 0.1786
Echinococcus granulosus geminin 0.019 0.2174 0.2315
Echinococcus multilocularis microtubule associated protein 2 0.0775 0.9391 0.9391
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0619 0.1514
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0197 0.0209
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0197 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0197 0.0567
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0119 0.1565
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0197 0.0567
Brugia malayi ecdysteroid receptor 0.003 0.0197 0.0567
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0619 0.0619
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0197 0.0567
Brugia malayi glutathione reductase 0.0053 0.048 0.1384
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0052 0.0149
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0092 0.0943
Schistosoma mansoni ran 0.0024 0.0119 0.0126
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.048
Brugia malayi nuclear hormone receptor 0.003 0.0197 0.0567
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0051
Schistosoma mansoni ap endonuclease 0.0022 0.0092 0.0098
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0092 0.0281
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0119 0.1565
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0092 0.0943
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0197 0.0209
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0197 0.0209
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0197 0.0197
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0619 0.066
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0149 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0197 0.0567
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0197 0.0209
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0051
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 0.4092 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0619 0.1514
Onchocerca volvulus 0.003 0.0197 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0092 0.0092

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 40 uM Inhibition of human PHD2 assessed as hydroxylation of Pro564 in human HIF-1alpha by TR-FRET assay ChEMBL. 18579373

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

1 literature reference was collected for this gene.

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