Detailed information for compound 1421439

Basic information

Technical information
  • TDR Targets ID: 1421439
  • Name: 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl- N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
  • MW: 363.418 | Formula: C13H13N7O2S2
  • H donors: 1 H acceptors: 6 LogP: 2.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nnnc1SCC(=O)Nc1nnc(s1)C
  • InChi: 1S/C13H13N7O2S2/c1-8-15-16-12(24-8)14-11(21)7-23-13-17-18-19-20(13)9-3-5-10(22-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,16,21)
  • InChiKey: VQBUREUAMXKMHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
  • 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
  • 2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide
  • SMR000118823
  • BAS 03156097
  • 2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
  • MLS000121491

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 ulcerans 3-isopropylmalate dehydrogenase 0.0041 0.0121 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0338 0.2208 0.695
Toxoplasma gondii isocitrate dehydrogenase 0.0338 0.2208 1
Schistosoma mansoni tar DNA-binding protein 0.0476 0.3178 0.4685
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0476 0.3178 0.3094
Loa Loa (eye worm) apoptosis regulator protein 0.0055 0.0217 0.0097
Brugia malayi Probable isocitrate dehydrogenase 0.0041 0.0121 0.0048
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0338 0.2208 0.695
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0338 0.2208 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0201 0.1243 0.5
Schistosoma mansoni hypothetical protein 0.0458 0.3049 0.4496
Schistosoma mansoni hypothetical protein 0.0988 0.6783 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1446 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0041 0.0121 0.0048
Brugia malayi Calcitonin receptor-like protein seb-1 0.1446 1 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.1735 0.1634
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0055 0.0217 0.0682
Loa Loa (eye worm) hypothetical protein 0.1446 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0086
Echinococcus multilocularis GPCR, family 2 0.0458 0.3049 0.9597
Loa Loa (eye worm) hypothetical protein 0.0458 0.3049 0.2964
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0041 0.0121 0.0178
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0338 0.2208 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0458 0.3049 0.9597
Loa Loa (eye worm) isocitrate dehydrogenase 0.0338 0.2208 0.2113
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0041 0.0121 0.5
Brugia malayi TAR-binding protein 0.0476 0.3178 0.3127
Echinococcus granulosus GPCR family 2 0.0458 0.3049 0.9597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0458 0.3049 0.2998
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0055 0.0217 0.0319
Loa Loa (eye worm) TAR-binding protein 0.0476 0.3178 0.3094
Brugia malayi N-terminal motif family protein 0.0201 0.1243 0.1178
Brugia malayi photoreceptor-specific nuclear receptor 0.0271 0.1735 0.1674
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0041 0.0121 0.0048
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0041 0.0121 0.038
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0338 0.2208 1
Brugia malayi RNA binding protein 0.0476 0.3178 0.3127
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0338 0.2208 0.695
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0458 0.3049 0.9597
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0458 0.3049 0.9597
Schistosoma mansoni tar DNA-binding protein 0.0476 0.3178 0.4685
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0338 0.2208 0.695
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0055 0.0217 0.0682
Echinococcus multilocularis tar DNA binding protein 0.0476 0.3178 1
Brugia malayi Latrophilin receptor protein 2 0.0458 0.3049 0.2998
Schistosoma mansoni hypothetical protein 0.0055 0.0217 0.0319
Loa Loa (eye worm) hypothetical protein 0.0201 0.1243 0.1135
Schistosoma mansoni hypothetical protein 0.0055 0.0217 0.0319
Toxoplasma gondii isocitrate dehydrogenase 0.0338 0.2208 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0338 0.2208 1
Echinococcus granulosus tar DNA binding protein 0.0476 0.3178 1
Brugia malayi Isocitrate dehydrogenase 0.0338 0.2208 0.215
Schistosoma mansoni tar DNA-binding protein 0.0476 0.3178 0.4685
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0055 0.0217 0.0144
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0055 0.0217 0.0682
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0041 0.0121 0.5
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0041 0.0121 0.038
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0055 0.0217 0.0682
Brugia malayi Probable isocitrate dehydrogenase 0.0041 0.0121 0.0048
Brugia malayi latrophilin 2 splice variant baaae 0.0988 0.6783 0.6759
Schistosoma mansoni tar DNA-binding protein 0.0476 0.3178 0.4685
Brugia malayi RNA recognition motif domain containing protein 0.0476 0.3178 0.3127
Leishmania major hypothetical protein, conserved 0.0053 0.0206 0.0409
Schistosoma mansoni unc-13 (munc13) 0.0041 0.0121 0.0178
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0338 0.2208 0.695
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0041 0.0121 0.5
Schistosoma mansoni hypothetical protein 0.0458 0.3049 0.4496
Brugia malayi hypothetical protein 0.0053 0.0206 0.0134
Loa Loa (eye worm) latrophilin receptor protein 2 0.0458 0.3049 0.2964
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0338 0.2208 1
Schistosoma mansoni isocitrate dehydrogenase 0.0041 0.0121 0.0178
Echinococcus multilocularis isocitrate dehydrogenase 0.0338 0.2208 0.695
Schistosoma mansoni hypothetical protein 0.0055 0.0217 0.0319
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0458 0.3049 0.9597
Schistosoma mansoni tar DNA-binding protein 0.0476 0.3178 0.4685
Loa Loa (eye worm) hypothetical protein 0.0988 0.6783 0.6744
Brugia malayi isocitrate dehydrogenase 0.0338 0.2208 0.215
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0041 0.0121 0.038
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0338 0.2208 0.3256
Schistosoma mansoni hypothetical protein 0.0458 0.3049 0.4496
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0041 0.0121 0.038
Schistosoma mansoni apoptosis regulator bax 0.0055 0.0217 0.0319
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0041 0.0121 0.0048
Loa Loa (eye worm) RNA binding protein 0.0476 0.3178 0.3094
Schistosoma mansoni hypothetical protein 0.0458 0.3049 0.4496
Entamoeba histolytica tartrate dehydrogenase, putative 0.0041 0.0121 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0338 0.2208 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0217 0.0097
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0338 0.2208 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0338 0.2208 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 20.7865 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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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