Detailed information for compound 908349

Basic information

Technical information
  • TDR Targets ID: 908349
  • Name: N-(3-bromophenyl)-2-[5-(2-chlorophenyl)tetraz ol-2-yl]acetamide
  • MW: 392.638 | Formula: C15H11BrClN5O
  • H donors: 1 H acceptors: 4 LogP: 4.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)NC(=O)Cn1nnc(n1)c1ccccc1Cl
  • InChi: 1S/C15H11BrClN5O/c16-10-4-3-5-11(8-10)18-14(23)9-22-20-15(19-21-22)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,23)
  • InChiKey: BYYOPHDTEOHKCC-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-bromophenyl)-2-[5-(2-chlorophenyl)-2-tetrazolyl]acetamide
  • N-(3-bromophenyl)-2-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
  • Oprea1_685048
  • ZINC04763619

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 tuberculosis Probable polyketide synthase Pks7 0.0026 0.4773 0.6376
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3971 0.3971
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.4773 0.6337
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0657 0.0657
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.3971 0.5305
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.2849 1
Loa Loa (eye worm) acyl carrier protein 0.0011 0.0995 0.0423
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.9418 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.0267 0.0356
Brugia malayi ecdysteroid receptor 0.001 0.0657 0.0657
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.3157 0.4188
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.218 0.2574
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0657 0.0657
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.4383 0.5856
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.4773 0.6357
Loa Loa (eye worm) hypothetical protein 0.0042 0.8648 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.4773 0.6337
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0657 0.0657
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.3337 0.4398
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.4383 0.581
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.2849 0.3774
Onchocerca volvulus 0.0043 0.9028 0.9555
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0657 0.0657
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.2258 0.2981
Schistosoma mansoni ap endonuclease 0.0019 0.2849 1
Mycobacterium ulcerans thioesterase 0.0021 0.3337 0.443
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0657 0.0657
Brugia malayi nuclear receptor NHR-88 0.001 0.0657 0.0657
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0657 0.2306
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0657 0.0657
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.2849 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.2849 0.2849
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.4383 0.5834
Onchocerca volvulus 0.0023 0.3971 0.3783
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0657 0.2306
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.4383 0.5834
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.3157 0.4188
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0657 0.2306
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.2849 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0657 0.0657
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.2849 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.3157 0.4155
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.4383 0.581
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2849 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0657 0.2306
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0647 0.0864
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0657 0.0657
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0039 0.0039
Mycobacterium ulcerans thioesterase TesA 0.0021 0.3337 0.443
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0657 0.0657
Mycobacterium ulcerans polyketide synthase 0.0026 0.4773 0.6357
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.2576 0.3708
Schistosoma mansoni coup transcription factor 0.001 0.0657 0.2306
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2849 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.7486 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0657 0.0657
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.7486 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.4773 0.6357
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.4773 0.6376
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0657 0.0657
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0008 0.0039 0.0052
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2849 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.2616 0.3495
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0081 0.0056
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.4773 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.2258 0.2941
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.2849 0.2743
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0657 0.2306
Schistosoma mansoni thyroid hormone receptor 0.001 0.0657 0.2306
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2849 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.3337 0.4459
Schistosoma mansoni thyroid hormone receptor 0.001 0.0657 0.2306
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0657 0.2306
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.4773 0.6376
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.2849 1
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.7486 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.4191 0.5599
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.4383 0.4383
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.4773 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0657 0.2306
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.2849 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.4383 0.5856
Schistosoma mansoni ap endonuclease 0.0019 0.2849 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.4383 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.4191 0.5599
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2849 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.1625 0.1211
Toxoplasma gondii exonuclease III APE 0.0019 0.2849 0.4492
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2849 0.5
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0081 0.0108
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.2849 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0657 0.0657
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.4383 0.5834
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.2849 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.7486 1
Mycobacterium ulcerans polyketide synthase 0.0025 0.4383 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.1676 0.224
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0657 0.2306
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0657 0.2306
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0657 0.0657
Schistosoma mansoni nuclear hormone receptor 0.001 0.0657 0.2306
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.3971 0.4147
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.4383 0.5856
Brugia malayi steroid hormone receptor 0.001 0.0657 0.0657
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.324 0.4329
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.2258 0.2981
Brugia malayi nuclear hormone receptor 0.001 0.0657 0.0657
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.2849 0.3806
Loa Loa (eye worm) fatty acid synthase 0.0024 0.43 0.4558
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0657 0.0657

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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