Detailed information for compound 1327539

Basic information

Technical information
  • TDR Targets ID: 1327539
  • Name: N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trif luoroacetamide
  • MW: 285.225 | Formula: C11H10F3N5O
  • H donors: 1 H acceptors: 4 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nnc(n1)c1ccccc1NC(=O)C(F)(F)F
  • InChi: 1S/C11H10F3N5O/c1-2-19-17-9(16-18-19)7-5-3-4-6-8(7)15-10(20)11(12,13)14/h3-6H,2H2,1H3,(H,15,20)
  • InChiKey: ZILHLMAHBMNJLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoro-acetamide
  • N-[2-(2-ethyl-5-tetrazolyl)phenyl]-2,2,2-trifluoroacetamide
  • N-[2-(2-ethyl-1,2,3,4-tetrazol-5-yl)phenyl]-2,2,2-trifluoro-ethanamide
  • ASN 05018172
  • MLS000031911
  • N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
  • SMR000003867
  • ZINC00414481

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.0608 0.6159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0941 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.0608 0.0612
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0503 0.7247 0.7247
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Mycobacterium leprae Probable lipase LipE 0.0079 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0679 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0941 1
Mycobacterium ulcerans esterase/lipase LipP 0.0079 0.0608 0.0538
Brugia malayi beta-lactamase family protein 0.0079 0.0608 0.0612
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.0608 0.0608
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.0608 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Mycobacterium ulcerans hypothetical protein 0.0079 0.0608 0.0538
Trichomonas vaginalis esterase, putative 0.0079 0.0608 0.1478
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0603 0.8805 1
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.2358 0.6319
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.0608 0.0608
Brugia malayi beta-lactamase 0.0079 0.0608 0.0612
Leishmania major hypothetical protein, conserved 0.0079 0.0608 1
Toxoplasma gondii ABC1 family protein 0.0079 0.0608 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0608 0.6159
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0679 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.0941 0.0994
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0941 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Mycobacterium ulcerans lipase LipD 0.0079 0.0608 0.0538
Plasmodium vivax hypothetical protein, conserved 0.0079 0.0608 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0608 0.1478
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0608 1
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0679 1 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0679 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.0608 0.6159
Mycobacterium leprae conserved hypothetical protein 0.0079 0.0608 0.0608
Mycobacterium ulcerans putative regulatory protein 0.0679 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.0608 0.0608
Brugia malayi beta-lactamase family protein 0.0079 0.0608 0.0612
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.2358 0.6319
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0608 0.1478
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0608 0.1478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0941 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.0608 0.0612
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0608 0.1478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0941 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0679 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0608 1
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.0608 0.0608
Mycobacterium ulcerans two component transcriptional regulator 0.0679 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0608 0.6159
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0276 0.3688 0.414
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Loa Loa (eye worm) hypothetical protein 0.0079 0.0608 0.0612
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.0608 0.0608
Loa Loa (eye worm) beta-lactamase 0.0079 0.0608 0.0612
Mycobacterium tuberculosis Conserved protein 0.0079 0.0608 0.0608
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2205 0.5898
Onchocerca volvulus Glucosylceramidase homolog 0.0181 0.2205 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0941 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Mycobacterium tuberculosis Conserved protein 0.0079 0.0608 0.0608
Brugia malayi Angiotensin-converting enzyme family protein 0.0603 0.8805 1
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0608 0.1478
Mycobacterium tuberculosis Conserved protein 0.0079 0.0608 0.0608
Mycobacterium ulcerans beta-lactamase 0.0079 0.0608 0.0538
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0073 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0941 1
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0679 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3688 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0276 0.3688 0.414
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0079 0.0608 0.0538
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.0941 0.0994
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.0608 0.0608
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0679 1 1
Mycobacterium ulcerans hypothetical protein 0.0679 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.0608 0.0608
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0073 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0679 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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 the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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