Detailed information for compound 1543207

Basic information

Technical information
  • TDR Targets ID: 1543207
  • Name: 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl ]acetamide
  • MW: 271.199 | Formula: C10H8F3N5O
  • H donors: 1 H acceptors: 4 LogP: 1.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cn1nnc(n1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C10H8F3N5O/c11-10(12,13)7-3-1-6(2-4-7)9-15-17-18(16-9)5-8(14)19/h1-4H,5H2,(H2,14,19)
  • InChiKey: BWGQVJFPYWDSIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-[4-(trifluoromethyl)phenyl]-2-tetrazolyl]acetamide
  • 2-[5-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide
  • 2-{5-[4-(trifluoromethyl)phenyl]-2H-tetrazol-2-yl}acetamide
  • MLS000065557
  • SMR000080177
  • SDCCGMLS-0043404.P002
  • ZINC01051641

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Echinococcus granulosus tar DNA binding protein 0.0457 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0082 0.1492 0.1492
Loa Loa (eye worm) RNA binding protein 0.0457 1 1
Schistosoma mansoni tar DNA-binding protein 0.0457 1 1
Schistosoma mansoni hypothetical protein 0.0082 0.1492 0.1492
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0163 0.0163
Brugia malayi MH2 domain containing protein 0.0235 0.4972 0.4972
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0811 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.0811 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0811 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 0.3646 0.3646
Schistosoma mansoni hypothetical protein 0.0082 0.1492 0.1492
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0258 0.5501 0.5501
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0258 0.5501 0.5501
Schistosoma mansoni hypothetical protein 0.0023 0.0163 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0811 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0082 0.1492 0.1492
Brugia malayi Latrophilin receptor protein 2 0.0082 0.1492 0.1492
Loa Loa (eye worm) hypothetical protein 0.0082 0.1492 0.1492
Schistosoma mansoni hypothetical protein 0.0082 0.1492 0.1492
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0811 0.5
Echinococcus multilocularis tar DNA binding protein 0.0457 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.4972 0.4972
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0457 1 1
Schistosoma mansoni hypothetical protein 0.0082 0.1492 0.1492
Schistosoma mansoni hypothetical protein 0.0177 0.3646 0.3646
Loa Loa (eye worm) hypothetical protein 0.0175 0.3611 0.3611
Echinococcus multilocularis GPCR, family 2 0.0082 0.1492 0.1492
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.4972 0.4972
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0082 0.1492 0.1492
Echinococcus granulosus GPCR family 2 0.0082 0.1492 0.1492
Schistosoma mansoni tar DNA-binding protein 0.0457 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0811 0.5
Brugia malayi hypothetical protein 0.0033 0.0395 0.0395
Loa Loa (eye worm) hypothetical protein 0.0258 0.5501 0.5501
Brugia malayi TAR-binding protein 0.0457 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0258 0.5501 0.5501
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0082 0.1492 0.1492
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0163 0.0163
Schistosoma mansoni tar DNA-binding protein 0.0457 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0811 0.0811
Schistosoma mansoni tar DNA-binding protein 0.0457 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0811 0.5
Loa Loa (eye worm) TAR-binding protein 0.0457 1 1
Brugia malayi N-terminal motif family protein 0.0175 0.3611 0.3611
Brugia malayi hypothetical protein 0.0052 0.0811 0.0811
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.3611 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0082 0.1492 0.1492
Brugia malayi RNA recognition motif domain containing protein 0.0457 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0811 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0082 0.1492 0.1492
Schistosoma mansoni tar DNA-binding protein 0.0457 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0177 0.3646 0.3646

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5918 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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