Detailed information for compound 619871

Basic information

Technical information
  • TDR Targets ID: 619871
  • Name: ethyl 2-[[5-[(4-morpholin-4-ylsulfonylbenzoyl )amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetat e
  • MW: 472.559 | Formula: C17H20N4O6S3
  • H donors: 1 H acceptors: 6 LogP: 1.44 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CSc1nnc(s1)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C17H20N4O6S3/c1-2-27-14(22)11-28-17-20-19-16(29-17)18-15(23)12-3-5-13(6-4-12)30(24,25)21-7-9-26-10-8-21/h3-6H,2,7-11H2,1H3,(H,18,19,23)
  • InChiKey: LPJSRJSTHXFVCG-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[[5-[(4-morpholinosulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
  • 2-[[5-[[(4-morpholinosulfonylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester
  • 2-[[5-[(4-morpholinosulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester
  • ethyl 2-[[5-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
  • Oprea1_771119

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
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0585 0.2722
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0457 0.1855
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0577 0.051
Onchocerca volvulus 0.0015 0.0071 1
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0271 0.126
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0481 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.215 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Echinococcus granulosus GPCR family 2 0.0016 0.009 0.042
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Loa Loa (eye worm) hypothetical protein 0.0032 0.0472 0.2194
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0472 0.0404
Entamoeba histolytica hypothetical protein 0.0037 0.0585 1
Trypanosoma brucei glucose transporter 2A 0.0033 0.0481 0.8107
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0271 0.0961
Entamoeba histolytica hypothetical protein 0.0037 0.0585 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0481 0.1973
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0271 0.5
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0472 0.0617
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0585 0.2722
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0472 0.0617
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0457 0.2124
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0457 0.2124
Echinococcus multilocularis solute carrier family 22 0.0015 0.0071 0.0331
Trypanosoma cruzi hexose transporter 0.0033 0.0481 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0472 0.2194
Schistosoma mansoni glucose transport protein 0.0105 0.215 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.215 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0577 1
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0141 0.1383
Brugia malayi Sugar transporter family protein 0.0105 0.215 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.017 0.3641 0.5495
Schistosoma mansoni hypothetical protein 0.0105 0.215 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.009 0.042
Loa Loa (eye worm) hypothetical protein 0.0034 0.0507 0.2359
Schistosoma mansoni protein kinase 0.0032 0.0472 0.2194
Schistosoma mansoni hypothetical protein 0.0034 0.0507 0.2359
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0577 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0472 0.2194
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0457 0.2124
Brugia malayi Cam kinase protein 1 0.0032 0.0472 0.2194
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0271 0.126
Onchocerca volvulus Putative transporter 0.0015 0.0071 1
Onchocerca volvulus 0.0015 0.0071 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Onchocerca volvulus 0.0015 0.0071 1
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0271 0.395
Trichomonas vaginalis conserved hypothetical protein 0.0105 0.215 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0271 0.3046
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0481 0.8107
Schistosoma mansoni sugar transporter 0.0015 0.0071 0.0331
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0481 0.8107
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0457 0.2124
Leishmania major glucose transporter, lmgt3 0.0033 0.0481 0.8107
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.042
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0481 0.1973
Schistosoma mansoni glucose transport protein 0.0105 0.215 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Plasmodium falciparum protein kinase 7 0.0298 0.6567 0.6542
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0481 0.8107
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Entamoeba histolytica hypothetical protein 0.0037 0.0585 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0481 0.8107
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0071 0.0331
Leishmania major protein kinase, putative 0.0032 0.0472 0.7919
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.009 0.042
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0271 0.0308
Echinococcus granulosus General substrate transporter 0.0091 0.181 0.8418
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.009 0.042
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.042
Schistosoma mansoni sugar transporter 0.0015 0.0071 0.0331
Entamoeba histolytica hypothetical protein 0.0037 0.0585 1
Leishmania major glucose transporter, lmgt2 0.0033 0.0481 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.215 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0577 0.0779
Onchocerca volvulus 0.0015 0.0071 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.215 1
Plasmodium falciparum hexose transporter 0.0105 0.215 0.2094
Loa Loa (eye worm) hypothetical protein 0.0032 0.0457 0.2124
Brugia malayi Sugar transporter family protein 0.0015 0.0071 0.0331
Plasmodium falciparum mitogen-activated protein kinase 2 0.017 0.3641 0.3595
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0867 0.4031
Brugia malayi hypothetical protein 0.0015 0.0071 0.0331
Onchocerca volvulus 0.0015 0.0071 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Brugia malayi hypothetical protein 0.0037 0.0585 0.2722
Schistosoma mansoni glucose transport protein 0.0105 0.215 1
Toxoplasma gondii protein kinase, putative 0.0298 0.6567 1
Schistosoma mansoni hypothetical protein 0.0037 0.0585 0.2722
Loa Loa (eye worm) sugar transporter 0.0105 0.215 1
Brugia malayi hypothetical protein 0.0015 0.0071 0.0331
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0204 0.0641
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0071 0.0331
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0457 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.215 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0481 0.1973
Loa Loa (eye worm) hypothetical protein 0.0016 0.009 0.042
Onchocerca volvulus 0.0015 0.0071 1
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0271 0.5182
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0457 0.2124
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0071 0.0331
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0029 0.0134
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0271 1
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0577 0.051
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0472 0.0404
Onchocerca volvulus 0.0015 0.0071 1
Echinococcus granulosus solute carrier family 22 0.0015 0.0071 0.0331
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0481 0.1973
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.019 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.009 0.042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Brugia malayi hypothetical protein 0.0015 0.0071 0.0331
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0071 0.5
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0426 0.1981
Entamoeba histolytica protein kinase, putative 0.0032 0.0472 0.6385
Entamoeba histolytica protein kinase, putative 0.0032 0.0472 0.6385
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0472 0.0617
Plasmodium vivax hexose transporter 0.0105 0.215 0.2094
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0457 0.5908
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.009 0.042
Brugia malayi Latrophilin receptor protein 2 0.0016 0.009 0.042
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0271 0.126
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0481 0.1973
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0585 0.2722
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0472 0.7919
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0071 0.0331
Onchocerca volvulus 0.0015 0.0071 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0071 0.0331
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0071 0.0331
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.019 1
Schistosoma mansoni sugar transporter 0.0015 0.0071 0.0331
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Onchocerca volvulus 0.0015 0.0071 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0507 0.2359
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0472 0.2194
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0271 0.126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0867 0.4031
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0271 0.0201
Schistosoma mansoni protein kinase 0.0032 0.0472 0.2194
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0472 0.1927
Echinococcus granulosus solute carrier family 22 0.0015 0.0071 0.0331
Loa Loa (eye worm) hypothetical protein 0.0049 0.0867 0.4031
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0271 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0457 0.2124
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Echinococcus multilocularis solute carrier family 22 0.0015 0.0071 0.0331
Onchocerca volvulus 0.0015 0.0071 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0472 0.0404
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0271 0.126
Onchocerca volvulus 0.0015 0.0071 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0472 0.0404
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0457 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0472 0.0404
Onchocerca volvulus 0.0015 0.0071 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0472 0.2194
Loa Loa (eye worm) sugar transporter 0.0015 0.0071 0.0331
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0472 0.0404
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0071 0.0331
Echinococcus multilocularis GPCR, family 2 0.0016 0.009 0.042
Toxoplasma gondii facilitative glucose transporter GT1 0.0105 0.215 0.3201
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0271 0.395
Loa Loa (eye worm) hypothetical protein 0.0032 0.0457 0.2124
Onchocerca volvulus 0.0015 0.0071 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0071 0.0331
Echinococcus multilocularis solute carrier family 22 0.0015 0.0071 0.0331
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.215 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0577 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0472 0.2194
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0472 0.2194
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0472 0.0404
Leishmania major glucose transporter, lmgt1 0.0033 0.0481 0.8107
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0481 0.1973
Onchocerca volvulus 0.0015 0.0071 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0071 0.0331
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0271 0.0201
Echinococcus multilocularis solute carrier family 22 0.0015 0.0071 0.0331
Trypanosoma brucei glucose transporter 1E 0.0033 0.0481 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.017 0.3641 0.3595
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Onchocerca volvulus 0.0015 0.0071 1
Brugia malayi Sugar transporter family protein 0.0015 0.0071 0.0331
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.042
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.009 0.042
Loa Loa (eye worm) hypothetical protein 0.0024 0.0271 0.126
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0481 0.8107
Loa Loa (eye worm) hypothetical protein 0.0026 0.0321 0.1491
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0271 0.395
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0472 0.0404
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0426 0.1981
Echinococcus granulosus solute carrier family 22 0.0015 0.0071 0.0331
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0577 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0331
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.215 1
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0071 0.0331
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0577 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0472 0.0404
Echinococcus multilocularis General substrate transporter 0.0091 0.181 0.8418
Schistosoma mansoni sugar transporter 0.0015 0.0071 0.0331
Trypanosoma brucei glucose transporter, putative 0.0033 0.0481 0.8107
Brugia malayi major facilitator superfamily protein 0.0015 0.0071 0.0331
Onchocerca volvulus 0.0015 0.0071 1
Schistosoma mansoni protein kinase 0.0032 0.0472 0.2194
Plasmodium vivax CDK-related protein kinase 6, putative 0.0447 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0867 0.4031
Echinococcus granulosus solute carrier family 22 0.0015 0.0071 0.0331
Schistosoma mansoni glucose transporter 0.0015 0.0071 0.0331
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0105 0.215 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0481 0.8107
Brugia malayi major facilitator superfamily protein 0.0015 0.0071 0.0331
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0481 0.1973

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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