Detailed information for compound 1555327

Basic information

Technical information
  • TDR Targets ID: 1555327
  • Name: 4-chloro-N-[3-[4-(2-cyanophenyl)sulfonylpiper azin-1-yl]-3-oxopropyl]benzenesulfonamide
  • MW: 496.988 | Formula: C20H21ClN4O5S2
  • H donors: 1 H acceptors: 6 LogP: 1.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C20H21ClN4O5S2/c21-17-5-7-18(8-6-17)31(27,28)23-10-9-20(26)24-11-13-25(14-12-24)32(29,30)19-4-2-1-3-16(19)15-22/h1-8,23H,9-14H2
  • InChiKey: XIMRKSIREKLSPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-N-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzenesulfonamide
  • 4-chloro-N-[3-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzenesulfonamide
  • 4-chloro-N-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-keto-propyl]benzenesulfonamide
  • T5608305

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 COUP TF:Svp nuclear hormone receptor 0.0011 0.017 0.017
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.017 0.017
Loa Loa (eye worm) doublecortin family protein 0.002 0.0706 0.0797
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.017 0.017
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.017 0.017
Trichomonas vaginalis ferritin, putative 0.0008 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2628 0.2628
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.6846 0.6846
Echinococcus granulosus tar DNA binding protein 0.0063 0.3433 0.3433
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.017 0.017
Schistosoma mansoni lipoxygenase 0.0082 0.4628 0.4628
Schistosoma mansoni thyroid hormone receptor 0.0011 0.017 0.017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.017 0.017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.2628 0.3658
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.017 0.017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2628 0.2628
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.017 0.017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2628 0.2628
Onchocerca volvulus 0.002 0.0706 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.689 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0706 0.0706
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3433 0.4856
Brugia malayi Doublecortin family protein 0.002 0.0706 0.0797
Schistosoma mansoni rab6-interacting 0.002 0.0706 0.0706
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0706 0.0706
Echinococcus granulosus RUN 0.002 0.0706 0.0706
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3433 0.3433
Echinococcus granulosus FTZ F1 alpha 0.0011 0.017 0.017
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.2628 0.3658
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2628 0.2628
Brugia malayi MH2 domain containing protein 0.0118 0.689 1
Echinococcus multilocularis RUN 0.002 0.0706 0.0706
Schistosoma mansoni nuclear hormone receptor 0.0011 0.017 0.017
Schistosoma mansoni loxhd1 0.002 0.0706 0.0706
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.017 0.017
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0706 0.0706
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0706 0.0706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2628 0.2628
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3433 0.3433
Loa Loa (eye worm) hypothetical protein 0.002 0.0706 0.0797
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.017 0.017
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.017 0.017
Loa Loa (eye worm) RNA binding protein 0.0063 0.3433 0.4856
Brugia malayi hypothetical protein 0.002 0.0706 0.0797
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.017 0.017
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.017 0.017
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.017 0.017
Schistosoma mansoni coup transcription factor 0.0011 0.017 0.017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.017 0.017
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.017 0.017
Schistosoma mansoni polycystin 1-related 0.002 0.0706 0.0706
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.689 1
Echinococcus multilocularis geminin 0.0168 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3433 0.3433
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0706 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.017 0.017
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.017 0.017
Onchocerca volvulus 0.002 0.0706 1
Treponema pallidum bacterioferrin (TpF1) 0.0008 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.017 0.017
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.6846 0.6846
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.017 0.017
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0706 0.0706
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3433 0.3433
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.017 0.017
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.017 0.017
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3433 0.3433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2628 0.2628
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.017 0.017
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.0706 0.0797
Brugia malayi TAR-binding protein 0.0063 0.3433 0.4856
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.017 0.017
Brugia malayi hypothetical protein 0.002 0.0706 0.0797
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0706 0.0706
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0 0.5
Schistosoma mansoni lipoxygenase 0.0117 0.6846 0.6846
Schistosoma mansoni rab6-interacting 0.002 0.0706 0.0706
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3433 0.4856
Schistosoma mansoni thyroid hormone receptor 0.0011 0.017 0.017
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0706 0.0706
Brugia malayi RNA binding protein 0.0063 0.3433 0.4856
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3433 0.3433
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3433 0.4856
Schistosoma mansoni hypothetical protein 0.0168 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2628 0.2628
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0706 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.017 0.017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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