Detailed information for compound 1365374

Basic information

Technical information
  • TDR Targets ID: 1365374
  • Name: N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yltet razol-2-yl)acetamide
  • MW: 305.379 | Formula: C12H11N5OS2
  • H donors: 1 H acceptors: 4 LogP: 2.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nnc(n1)c1cccs1)NCc1cccs1
  • InChi: 1S/C12H11N5OS2/c18-11(13-7-9-3-1-5-19-9)8-17-15-12(14-16-17)10-4-2-6-20-10/h1-6H,7-8H2,(H,13,18)
  • InChiKey: LVJFPLUVLHLZGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-thienylmethyl)-2-[5-(2-thienyl)tetrazol-2-yl]acetamide
  • N-(2-thienylmethyl)-2-[5-(2-thienyl)-2-tetrazolyl]acetamide
  • N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanamide
  • T5548081
  • Oprea1_367114
  • MLS000856109
  • SMR000282854
  • ASN 04450345
  • N-Thiophen-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
  • Oprea1_801383
  • ZINC00415080

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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0284 0.0318
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0387 0.4524 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0284 0.0627
Brugia malayi DOMON domain containing protein 0.0074 0.0545 0.1204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0284 0.0284
Brugia malayi DOMON domain containing protein 0.0074 0.0545 0.1204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0859 0.1898
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0284 0.0318
Loa Loa (eye worm) hypothetical protein 0.0099 0.0859 0.1898
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.138 0.3051
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0387 0.4524 0.5071
Schistosoma mansoni hypothetical protein 0.0042 0.0138 0.0155
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0859 0.1898
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0545 0.1204
Brugia malayi hypothetical protein 0.0042 0.0138 0.0306
Onchocerca volvulus 0.0074 0.0545 0.5
Brugia malayi MH2 domain containing protein 0.014 0.138 0.3051
Entamoeba histolytica hypothetical protein 0.0042 0.0138 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0138 0.0306
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0094 0.0798 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0191 0.2027 0.448
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0461 0.102
Onchocerca volvulus 0.0074 0.0545 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0284 0.0627
Entamoeba histolytica hypothetical protein 0.0042 0.0138 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0284 0.0627
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0545 0.1204
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0387 0.4524 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0545 0.1204
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0284 0.0627
Schistosoma mansoni hypothetical protein 0.0068 0.0461 0.0517
Schistosoma mansoni peptidylglycine monooxygenase 0.0387 0.4524 0.5071
Entamoeba histolytica hypothetical protein 0.0042 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0461 0.102
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0859 0.1898
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.019 0.2014 0.5
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA 0.019 0.2014 0.5
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.019 0.2014 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0196 0.21 0.4642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0284 0.0284
Schistosoma mansoni dopamine-beta-monooxygenase 0.0733 0.8922 1
Brugia malayi DOMON domain containing protein 0.0074 0.0545 0.1204
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0138 0.0138
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0387 0.4524 1
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.138 0.3051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0284 0.0318
Loa Loa (eye worm) hypothetical protein 0.0387 0.4524 1
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0094 0.0798 0.5
Loa Loa (eye worm) hypothetical protein 0.0387 0.4524 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0387 0.4524 0.4524
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0138 0.0155
Entamoeba histolytica hypothetical protein 0.0042 0.0138 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 251.1886 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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