Detailed information for compound 1359420

Basic information

Technical information
  • TDR Targets ID: 1359420
  • Name: N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulf onylamino)phenyl]thiophene-2-sulfonamide
  • MW: 458.555 | Formula: C15H14N4O5S4
  • H donors: 4 H acceptors: 5 LogP: 1.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1cc(cc(c1)NS(=O)(=O)c1cccs1)NS(=O)(=O)c1cccs1
  • InChi: 1S/C15H14N4O5S4/c16-17-15(20)10-7-11(18-27(21,22)13-3-1-5-25-13)9-12(8-10)19-28(23,24)14-4-2-6-26-14/h1-9,18-19H,16H2,(H,17,20)
  • InChiKey: MGLROXORLYYUJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(hydrazinecarbonyl)-5-(2-thienylsulfonylamino)phenyl]thiophene-2-sulfonamide
  • N-[3-(hydrazinecarbonyl)-5-(2-thienylsulfonylamino)phenyl]-2-thiophenesulfonamide
  • N-[3-carbazoyl-5-(2-thienylsulfonylamino)phenyl]thiophene-2-sulfonamide
  • N-[3-(aminocarbamoyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
  • ZINC03269810

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dna polymerase kappa 0.0023 0.1004 0.3047
Loa Loa (eye worm) hypothetical protein 0.0054 0.3293 0.3293
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.3047
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2097 0.4775
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.3293 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Echinococcus granulosus dna polymerase eta 0.0054 0.3293 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.3047
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1004 0.5
Trypanosoma brucei unspecified product 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.3293 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.3293 0.3293
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1004 0.3047
Leishmania major DNA polymerase eta, putative 0.0054 0.3293 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1004 0.3047
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Schistosoma mansoni DNA polymerase eta 0.0054 0.3293 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.2097 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1004 0.5
Leishmania major DNA polymerase eta, putative 0.0038 0.2097 0.4775
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Giardia lamblia DINP protein human, muc B family 0.0023 0.1004 0.5
Echinococcus multilocularis dna polymerase eta 0.0054 0.3293 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1004 0.3047

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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