Detailed information for compound 848964

Basic information

Technical information
  • TDR Targets ID: 848964
  • Name: 3-(2,1,3-benzoxadiazol-7-ylsulfonyl)-1-[4-[(4 -chlorophenyl)-phenylmethyl]piperazin-1-yl]pr opan-1-one
  • MW: 525.019 | Formula: C26H25ClN4O4S
  • H donors: 0 H acceptors: 5 LogP: 3.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2c1non2
  • InChi: 1S/C26H25ClN4O4S/c27-21-11-9-20(10-12-21)26(19-5-2-1-3-6-19)31-16-14-30(15-17-31)24(32)13-18-36(33,34)23-8-4-7-22-25(23)29-35-28-22/h1-12,26H,13-18H2
  • InChiKey: WYLULBQYIHESHD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2,1,3-benzoxadiazol-7-ylsulfonyl)-1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propan-1-one
  • 3-(2,1,3-benzoxadiazol-7-ylsulfonyl)-1-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]propan-1-one
  • 3-benzofurazan-4-ylsulfonyl-1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propan-1-one
  • EU-0021582

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
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0266 0.388
Plasmodium vivax peptide deformylase, putative 0.1485 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0014 0.0036 0.0164
Echinococcus granulosus lysine specific demethylase 5A 0.0018 0.0059 0.038
Loa Loa (eye worm) hypothetical protein 0.0015 0.0038 0.0172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0027 0.0124 0.0558
Echinococcus granulosus lamin dm0 0.0017 0.0053 0.0273
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0046 0.0254 0.3677
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0027 0.0124 0.1474
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0027 0.0124 0.1474
Toxoplasma gondii hypothetical protein 0.1485 1 1
Loa Loa (eye worm) RNA binding protein 0.0058 0.0333 0.1502
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0036 0.0164
Brugia malayi jmjC domain containing protein 0.0048 0.0263 0.1185
Schistosoma mansoni ap endonuclease 0.0038 0.0199 0.1728
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0333 0.3164
Loa Loa (eye worm) hypothetical protein 0.0017 0.0053 0.0237
Loa Loa (eye worm) hypothetical protein 0.0048 0.0266 0.12
Loa Loa (eye worm) TAR-binding protein 0.0058 0.0333 0.1502
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0027 0.0124 0.0931
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0024 0.0101 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0014 0.0036 0.0164
Brugia malayi intermediate filament protein 0.0017 0.0053 0.0237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0014 0.0036 0.0164
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0027 0.0123 0.1468
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0333 0.3164
Echinococcus multilocularis jumonji domain containing protein 0.002 0.0077 0.0682
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0036 0.0164
Echinococcus granulosus intermediate filament protein 0.0017 0.0053 0.0273
Loa Loa (eye worm) PHD-finger family protein 0.0015 0.0038 0.0172
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0199 0.0161
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0199 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0566 0.3778 1
Echinococcus multilocularis musashi 0.0017 0.0053 0.0273
Schistosoma mansoni hypothetical protein 0.0153 0.0975 1
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0014 0.0036 0.0164
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0333 0.3164
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0566 0.3778 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0266 0.245
Schistosoma mansoni jumonji/arid domain-containing protein 0.0018 0.0059 0.024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0048 0.0266 0.0229
Plasmodium vivax SET domain protein, putative 0.0048 0.0266 0.0229
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Echinococcus multilocularis SAM and MBT domain containing protein 0.0024 0.0101 0.109
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0102 0.0629 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0027 0.0123 0.0927
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0566 0.3778 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0199 0.0161
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0058 0.0333 0.1502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0014 0.0036 0.0164
Mycobacterium ulcerans peptide deformylase 0.1485 1 1
Brugia malayi ecdysteroid receptor 0.0014 0.0036 0.0164
Brugia malayi Steroid receptor seven-up type 2 0.0014 0.0036 0.0164
Brugia malayi RNA binding protein 0.0058 0.0333 0.1502
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0014 0.0036 0.0164
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0017 0.0053 0.0237
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Brugia malayi nuclear receptor NHR-88 0.0014 0.0036 0.0164
Schistosoma mansoni transcription factor LCR-F1 0.0018 0.0061 0.0265
Loa Loa (eye worm) MBCTL1 0.0027 0.0123 0.0556
Plasmodium falciparum peptide deformylase 0.1485 1 1
Brugia malayi mbt repeat family protein 0.0024 0.0101 0.0455
Loa Loa (eye worm) mbt repeat family protein 0.0024 0.0101 0.0455
Echinococcus multilocularis histone acetyltransferase MYST2 0.0027 0.0123 0.1468
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0266 0.245
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0048 0.0266 0.388
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0015 0.0038 0.0018
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0027 0.0123 0.1468
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1485 1 1
Treponema pallidum polypeptide deformylase (def) 0.1485 1 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0027 0.0123 0.0556
Brugia malayi photoreceptor-specific nuclear receptor 0.0014 0.0036 0.0164
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1485 1 1
Brugia malayi jmjC domain containing protein 0.0018 0.0059 0.0266
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0036 0.0164
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0199 1
Schistosoma mansoni sex comb on midleg homolog 0.0024 0.0101 0.0688
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0027 0.0124 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0036 0.0164
Echinococcus multilocularis peregrin 0.0015 0.0038 0.0029
Leishmania major polypeptide deformylase-like protein, putative 0.0566 0.3778 1
Echinococcus multilocularis lamin dm0 0.0017 0.0053 0.0273
Brugia malayi nuclear hormone receptor 0.0014 0.0036 0.0164
Brugia malayi hypothetical protein 0.0018 0.0061 0.0276
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0048 0.0263 0.3825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0027 0.0124 0.0931
Brugia malayi TAR-binding protein 0.0058 0.0333 0.1502
Trichomonas vaginalis set domain proteins, putative 0.0383 0.2534 1
Toxoplasma gondii exonuclease III APE 0.0038 0.0199 0.0161
Brugia malayi Nuclear hormone receptor-like 1 0.0014 0.0036 0.0164
Brugia malayi PHD-finger family protein 0.0015 0.0038 0.0172
Brugia malayi Pre-SET motif family protein 0.0336 0.2219 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0048 0.0263 0.3825
Onchocerca volvulus Alhambra homolog 0.0015 0.0038 0.0007
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0199 0.0895
Brugia malayi RNA recognition motif domain containing protein 0.0058 0.0333 0.1502
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0059 0.0266
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Echinococcus granulosus peregrin 0.0015 0.0038 0.0029
Echinococcus multilocularis polycomb protein SCMH1 0.0024 0.0101 0.109
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0333 0.3164
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0027 0.0124 0.1474
Onchocerca volvulus 0.0024 0.0101 0.0259
Schistosoma mansoni sex comb on midleg homolog 0.0024 0.0101 0.0688
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0018 0.0061 0.0419
Brugia malayi mbt repeat family protein 0.0024 0.0101 0.0455
Loa Loa (eye worm) steroid hormone receptor 0.0014 0.0036 0.0164
Onchocerca volvulus 0.0383 0.2534 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0014 0.0036 0.0164
Onchocerca volvulus 0.0017 0.0053 0.0065
Echinococcus multilocularis lysine specific demethylase 5A 0.0018 0.0059 0.038
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0024 0.0101 0.0688
Echinococcus granulosus lamin 0.0017 0.0053 0.0273
Trypanosoma brucei Peptide deformylase 2 0.0566 0.3778 1
Echinococcus multilocularis lamin 0.0017 0.0053 0.0273
Echinococcus granulosus jumonji domain containing protein 0.002 0.0077 0.0682
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0036 0.0164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0014 0.0036 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0014 0.0036 0.0164
Echinococcus multilocularis tar DNA binding protein 0.0058 0.0333 0.5011
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0014 0.0036 0.0164
Loa Loa (eye worm) hypothetical protein 0.0024 0.0101 0.0455
Schistosoma mansoni ap endonuclease 0.0038 0.0199 0.1728
Echinococcus granulosus SAM and MBT domain containing protein 0.0024 0.0101 0.109
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0014 0.0036 0.0164
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0018 0.0061 0.0419
Brugia malayi Pre-SET motif family protein 0.0048 0.0266 0.12
Schistosoma mansoni intermediate filament proteins 0.0017 0.0053 0.0173
Onchocerca volvulus 0.0017 0.0053 0.0065
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Schistosoma mansoni lamin 0.0017 0.0053 0.0173
Schistosoma mansoni lamin 0.0017 0.0053 0.0173
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0266 0.245
Loa Loa (eye worm) hypothetical protein 0.0016 0.0051 0.0228
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0102 0.0629 1
Onchocerca volvulus 0.0048 0.0266 0.092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0027 0.0124 0.0931
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0027 0.0124 0.1474
Trypanosoma cruzi Peptide deformylase 2, putative 0.0566 0.3778 1
Brugia malayi steroid hormone receptor 0.0014 0.0036 0.0164
Echinococcus granulosus polycomb protein SCMH1 0.0024 0.0101 0.109
Loa Loa (eye worm) hypothetical protein 0.0027 0.0123 0.0556
Schistosoma mansoni jumonji/arid domain-containing protein 0.0018 0.0059 0.024
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1485 1 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0199 0.2736
Trypanosoma brucei Polypeptide deformylase 1 0.0566 0.3778 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0014 0.0036 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0036 0.0164
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0333 0.3164
Schistosoma mansoni jumonji domain containing protein 0.0038 0.0196 0.1706
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0266 0.245
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0336 0.2219 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0143 0.0646
Echinococcus multilocularis PHD finger protein rhinoceros 0.0015 0.0038 0.0029
Brugia malayi Intermediate filament tail domain containing protein 0.0017 0.0053 0.0237
Echinococcus granulosus histone acetyltransferase MYST2 0.0027 0.0123 0.1468
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0199 0.2736
Loa Loa (eye worm) intermediate filament protein 0.0017 0.0053 0.0237
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0164
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0199 0.0895
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0014 0.0036 0.0164
Loa Loa (eye worm) hypothetical protein 0.0025 0.0109 0.049
Echinococcus granulosus tar DNA binding protein 0.0058 0.0333 0.5011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0014 0.0036 0.0164
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0266 0.388
Echinococcus granulosus PHD finger protein rhinoceros 0.0015 0.0038 0.0029
Brugia malayi Bromodomain containing protein 0.0015 0.0038 0.0172

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.
 
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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