Detailed information for compound 1539278

Basic information

Technical information
  • TDR Targets ID: 1539278
  • Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7a- methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b] [1,3]thiazole-3-carboxamide
  • MW: 344.476 | Formula: C12H16N4O2S3
  • H donors: 1 H acceptors: 4 LogP: 1.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nnc(s1)NC(=O)C1CSC2(N1C(=O)CC2)C
  • InChi: 1S/C12H16N4O2S3/c1-3-19-11-15-14-10(21-11)13-9(18)7-6-20-12(2)5-4-8(17)16(7)12/h7H,3-6H2,1-2H3,(H,13,14,18)
  • InChiKey: DQGZUWQBWCNOKV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
  • T5505052

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) isocitrate dehydrogenase 0.0016 0.0025 0.0051
Onchocerca volvulus 0.0041 0.0344 1
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0344 1
Echinococcus multilocularis musashi 0.0031 0.0213 0.0206
Schistosoma mansoni choline o-acyltransferase 0.0041 0.0344 0.032
Leishmania major carnitine palmitoyltransferase-like protein 0.0041 0.0344 0.1193
Onchocerca volvulus 0.0041 0.0344 1
Onchocerca volvulus 0.0041 0.0344 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0213 0.0436
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0041 0.0344 0.0656
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0221 0.2699 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0213 0.0189
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0344 0.1193
Schistosoma mansoni lamin 0.0031 0.0213 0.0189
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0025 0.0018
Echinococcus multilocularis lamin dm0 0.0031 0.0213 0.0206
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0221 0.2699 0.2693
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0213 0.0387
Schistosoma mansoni microtubule-associated protein tau 0.0782 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0025 0.0018
Loa Loa (eye worm) hypothetical protein 0.039 0.4893 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0025 0.0018
Echinococcus multilocularis lamin 0.0031 0.0213 0.0206
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0041 0.0344 0.0703
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0221 0.2699 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0344 0.0703
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0041 0.0344 0.1193
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0221 0.2699 1
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0041 0.0344 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0344 0.1193
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0025 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0041 0.0344 0.0656
Echinococcus granulosus lamin dm0 0.0031 0.0213 0.0206
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0025 0.5
Leishmania major carnitine/choline acetyltransferase, putative 0.0041 0.0344 0.1193
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.039 0.4893 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0041 0.0344 0.0703
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0041 0.0344 0.1193
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0344 0.1193
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0041 0.0344 0.1193
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0025 0.0018
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0041 0.0344 0.1193
Echinococcus granulosus lamin 0.0031 0.0213 0.0206
Loa Loa (eye worm) hypothetical protein 0.0015 0.0007 0.0015
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0025 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0344 0.1193
Echinococcus granulosus choline O acetyltransferase 0.0041 0.0344 0.0337
Brugia malayi Choline O-acetyltransferase 0.0041 0.0344 0.0656
Schistosoma mansoni choline o-acyltransferase 0.0041 0.0344 0.032
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0041 0.0344 0.1193
Loa Loa (eye worm) hypothetical protein 0.003 0.0206 0.0421
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0221 0.2699 0.2693
Brugia malayi Choline O-acetyltransferase 0.0041 0.0344 0.0656
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0028 0.0058
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0025 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0028 0.0007
Echinococcus granulosus intermediate filament protein 0.0031 0.0213 0.0206
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0041 0.0344 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0025 0.0018
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0041 0.0344 0.0337
Loa Loa (eye worm) hypothetical protein 0.0031 0.0213 0.0436
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0025 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0041 0.0344 0.0703
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0213 0.0436
Onchocerca volvulus 0.0041 0.0344 1
Brugia malayi intermediate filament protein 0.0031 0.0213 0.0387
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0041 0.0344 1
Echinococcus multilocularis microtubule associated protein 2 0.0782 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0344 0.1193
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0025 0.5
Schistosoma mansoni lamin 0.0031 0.0213 0.0189
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0041 0.0344 1
Echinococcus multilocularis choline O acetyltransferase 0.0041 0.0344 0.0337
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0041 0.0344 0.1193
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0041 0.0344 0.0337

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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