Detailed information for compound 1456643

Basic information

Technical information
  • TDR Targets ID: 1456643
  • Name: 1-(4-chlorophenyl)sulfonyl-N'-phenylsulfonylp iperidine-4-carbohydrazide
  • MW: 457.952 | Formula: C18H20ClN3O5S2
  • H donors: 2 H acceptors: 5 LogP: 2.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)NNS(=O)(=O)c1ccccc1
  • InChi: 1S/C18H20ClN3O5S2/c19-15-6-8-17(9-7-15)29(26,27)22-12-10-14(11-13-22)18(23)20-21-28(24,25)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,20,23)
  • InChiKey: RJAQXQMPWGONEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorophenyl)sulfonyl-N'-phenylsulfonyl-piperidine-4-carbohydrazide
  • 1-(4-chlorophenyl)sulfonyl-N'-phenylsulfonyl-4-piperidinecarbohydrazide
  • 1-(4-chlorophenyl)sulfonyl-N'-phenylsulfonyl-isonipecotohydrazide
  • MLS000331355
  • N'-({1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)benzenesulfonohydrazide
  • SMR000168765
  • ZINC01406890
  • 1R-1322

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0922 0.0922
Brugia malayi serine/threonine-protein kinase plk-2 0.0113 0.2675 0.2675
Brugia malayi MH2 domain containing protein 0.0026 0.0284 0.0284
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.2675 0.29
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0287 0.7485 0.7485
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1381 0.1497
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0284 0.0308
Loa Loa (eye worm) MBCTL1 0.0066 0.1381 0.1381
Schistosoma mansoni hypothetical protein 0.035 0.9225 1
Giardia lamblia Kinase, PLK 0.0113 0.2675 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Brugia malayi MH1 domain containing protein 0.0026 0.0284 0.0284
Schistosoma mansoni kinase 0.0057 0.115 0.1247
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0284 0.0379
Brugia malayi MH1 domain containing protein 0.0026 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0049 0.0922 0.0922
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0287 0.7485 0.7485
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1161 0.1551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.7485 0.8115
Loa Loa (eye worm) transcription factor SMAD2 0.0378 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0113 0.2675 0.3574
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0286 0.7452 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1161 0.1259
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0286 0.7452 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.7485 0.8115
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1161 0.1259
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.2675 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 0.7485 1
Treponema pallidum hypothetical protein 0.0286 0.7452 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1161 0.1259
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0284 0.0379
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1161 0.1551
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1161 0.1551
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0113 0.2675 0.3574
Schistosoma mansoni smad1 5 8 and 0.0026 0.0284 0.0308
Loa Loa (eye worm) hypothetical protein 0.0058 0.1161 0.1161
Loa Loa (eye worm) Smad1 0.0026 0.0284 0.0284
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1381 0.1845
Brugia malayi Smad1 0.0026 0.0284 0.0284
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.583 0.7788
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0286 0.7452 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0284 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 0.7485 0.8115
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0113 0.2675 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1381 0.1845
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.583 0.7788
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1381 0.1381
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 0.7485 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0284 0.0379
Schistosoma mansoni hypothetical protein 0.0033 0.0495 0.0537
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.2675 0.5
Schistosoma mansoni smad 0.0026 0.0284 0.0308
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1381 0.1381
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1161 0.1161
Echinococcus multilocularis Smad4 0.0026 0.0284 0.0379
Schistosoma mansoni smad1 5 8 and 0.0026 0.0284 0.0308
Loa Loa (eye worm) MH2 domain-containing protein 0.0378 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0113 0.2675 0.2675
Brugia malayi mbt repeat family protein 0.0058 0.1161 0.1161
Brugia malayi MH2 domain containing protein 0.0026 0.0284 0.0284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 0.7485 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1161 0.1551
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1381 0.1845
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0922 0.0922
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0033 0.0495 0.0495
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0286 0.7452 0.5
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0286 0.7452 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0113 0.2675 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.2675 1
Echinococcus multilocularis smad 0.0026 0.0284 0.0379
Echinococcus granulosus Smad4 0.0026 0.0284 0.0379
Onchocerca volvulus Serine\/threonine kinase homolog 0.0113 0.2675 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0922 0.0922
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0284 0.0284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 0.7485 1
Schistosoma mansoni Smad4 0.0026 0.0284 0.0308
Schistosoma mansoni smad1 5 8 and 0.0026 0.0284 0.0308
Trypanosoma brucei polo-like protein kinase 0.0113 0.2675 0.5
Brugia malayi mbt repeat family protein 0.0058 0.1161 0.1161
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0284 0.0379
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1381 0.1845
Echinococcus granulosus smad 0.0026 0.0284 0.0379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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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