Detailed information for compound 779419

Basic information

Technical information
  • TDR Targets ID: 779419
  • Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfo nylphenyl]acetamide
  • MW: 421.898 | Formula: C19H20ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Cl)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C19H20ClN3O4S/c1-14(24)21-17-6-8-18(9-7-17)28(26,27)23-12-10-22(11-13-23)19(25)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)
  • InChiKey: IOADKQFPCBCPQN-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]acetamide
  • N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
  • BAS 03152992
  • N-{4-[4-(4-Chloro-benzoyl)-piperazine-1-sulfonyl]-phenyl}-acetamide
  • ST5302866
  • ZINC00900001
  • Oprea1_699842
  • Oprea1_363355

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
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0156 0.2706 0.1581
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0109 0.1473 0.0159
Brugia malayi RE15519p 0.0067 0.0361 0.2375
Trichomonas vaginalis DNA topoisomerase II, putative 0.0104 0.1336 1
Brugia malayi AKH receptor 0.0067 0.0361 0.2375
Brugia malayi neuropeptide F receptor 0.0067 0.0361 0.2375
Trypanosoma cruzi DNA topoisomerase II, putative 0.0086 0.0866 0.3201
Brugia malayi G-protein coupled receptor 0.0067 0.0361 0.2375
Brugia malayi follicle stimulating hormone receptor 0.0067 0.0361 0.2375
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0067 0.0361 0.2375
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0208 0.4044 1
Brugia malayi thymidylate synthase 0.0111 0.1522 1
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi Dopamine receptor protein 1 0.0067 0.0361 0.2375
Echinococcus multilocularis thymidylate synthase 0.0111 0.1522 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0067 0.0361 0.2375
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0104 0.1336 0.8396
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0435 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0067 0.0361 0.2375
Brugia malayi sulfakinin receptor protein 0.0067 0.0361 0.2375
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0156 0.2706 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0086 0.0866 0.3201
Chlamydia trachomatis DNA gyrase subunit B 0.0215 0.4245 0.1865
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0067 0.0361 0.2375
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi larval opioid receptor 0.0067 0.0361 0.2375
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0104 0.1336 0.8396
Plasmodium vivax DNA gyrase subunit B, putative 0.0215 0.4245 0.3358
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0067 0.0361 0.2375
Loa Loa (eye worm) TOPoisomerase family member 0.0104 0.1336 0.8396
Schistosoma mansoni DNA topoisomerase II 0.0104 0.1336 0.8396
Brugia malayi Serotonin receptor 0.0067 0.0361 0.2375
Brugia malayi G protein-coupled receptor 0.0067 0.0361 0.2375
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0154 0.2655 0.9813
Brugia malayi Probable DNA topoisomerase II 0.0104 0.1336 0.8777
Brugia malayi Melatonin receptor type 1A 0.0067 0.0361 0.2375
Brugia malayi Dopamine receptor 0.0067 0.0361 0.2375
Mycobacterium ulcerans DNA gyrase subunit B 0.0215 0.4245 0.3212
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0435 1 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0156 0.2706 1
Brugia malayi putative neuropeptide receptor 0.0067 0.0361 0.2375
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi putative neuropeptide receptor NPR1 0.0067 0.0361 0.2375
Brugia malayi Serotonin receptor 0.0067 0.0361 0.2375
Brugia malayi neuropeptide F receptor 0.0067 0.0361 0.2375
Echinococcus granulosus thymidylate synthase 0.0111 0.1522 1
Leishmania major mitochondrial DNA topoisomerase II 0.0154 0.2655 0.9725
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0104 0.1336 0.8777
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0435 1 1
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Trypanosoma brucei DNA topoisomerase ii 0.0154 0.2655 0.9725
Onchocerca volvulus 0.0111 0.1522 1
Loa Loa (eye worm) thymidylate synthase 0.0111 0.1522 1
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi Tachykinin-like peptides receptor 99D 0.0067 0.0361 0.2375
Mycobacterium ulcerans DNA gyrase subunit A 0.0435 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0156 0.2706 0.1581
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0111 0.1522 0.1522
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0111 0.1522 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0104 0.1336 0.5
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0215 0.4245 0.4245
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0104 0.1336 0.8396
Brugia malayi GnHR receptor homolog 0.0067 0.0361 0.2375
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Brugia malayi Dopamine receptor protein 2 0.0067 0.0361 0.2375
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0156 0.2706 1
Brugia malayi G-protein coupled receptor 0.0067 0.0361 0.2375
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0154 0.2655 0.9813
Brugia malayi ORL1-like opioid receptor 0.0067 0.0361 0.2375
Giardia lamblia DNA topoisomerase II 0.0096 0.113 0.5
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0104 0.1336 0.8777
Brugia malayi hypothetical protein 0.0067 0.0361 0.2375
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0156 0.2706 0.1581
Plasmodium falciparum DNA gyrase subunit B 0.0215 0.4245 0.3358
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0104 0.1336 0.8396
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0104 0.1336 0.8396
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0067 0.0361 0.2375
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0435 1 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0435 1 1
Plasmodium falciparum DNA gyrase subunit A 0.0435 1 1

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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