Detailed information for compound 1483997

Basic information

Technical information
  • TDR Targets ID: 1483997
  • Name: 4-amino-3-(2-nitrophenyl)diazenyl-N-(1,3-thia zol-2-yl)benzenesulfonamide
  • MW: 404.424 | Formula: C15H12N6O4S2
  • H donors: 2 H acceptors: 5 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1N=Nc1ccccc1[N+](=O)[O-])S(=O)(=O)Nc1nccs1
  • InChi: 1S/C15H12N6O4S2/c16-11-6-5-10(27(24,25)20-15-17-7-8-26-15)9-13(11)19-18-12-3-1-2-4-14(12)21(22)23/h1-9H,16H2,(H,17,20)
  • InChiKey: JJVRPICUGFLOHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-3-(2-nitrophenyl)azo-N-thiazol-2-yl-benzenesulfonamide
  • 4-amino-3-(2-nitrophenyl)azo-N-(2-thiazolyl)benzenesulfonamide
  • NSC13121

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens DNA (cytosine-5-)-methyltransferase 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana 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 infantum 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, 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
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania mexicana 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
Echinococcus multilocularis dna polymerase eta 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
Leishmania major DNA polymerase eta, putative 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
Leishmania major DNA polymerase eta, putative 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
Toxoplasma gondii ImpB/MucB/SamB family protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus 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
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
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0024 0.0461 1
Leishmania major DNA polymerase eta, putative 0.0045 0.1511 0.489
Onchocerca volvulus 0.0047 0.1575 0.0341
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2247 0.2247
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.1579 0.5
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0024 0.0461 0.1492
Loa Loa (eye worm) CXXC zinc finger family protein 0.004 0.1277 0.1277
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.1579 0.4726
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0225 0.0225
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.3091 0.3091
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.511
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0024 0.0461 0.107
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Loa Loa (eye worm) hypothetical protein 0.0041 0.1311 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.511
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0024 0.0461 0.1492
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2247 0.2247
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.1579 1
Echinococcus multilocularis cpg binding protein 0.004 0.1277 0.3671
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1579 0.1579
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Schistosoma mansoni cpg binding protein 0.004 0.1277 0.4132
Brugia malayi CXXC zinc finger family protein 0.004 0.1277 0.1277
Echinococcus multilocularis dna polymerase eta 0.0077 0.3091 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.1579 0.1579
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.1579 0.4726
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.1579 0.511
Schistosoma mansoni cpg binding protein 0.004 0.1277 0.4132
Schistosoma mansoni cpg binding protein 0.004 0.1277 0.4132
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Schistosoma mansoni DNA polymerase eta 0.0077 0.3091 1
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.3091 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.281
Trypanosoma brucei unspecified product 0.0032 0.0869 0.281
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0102 0.431 1
Echinococcus granulosus dna polymerase kappa 0.0047 0.1579 0.4726
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.281
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1511 0.489
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0024 0.0461 0.0823
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.1579 0.511
Loa Loa (eye worm) hypothetical protein 0.0047 0.1575 0.1575
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.281
Trypanosoma brucei unspecified product 0.0032 0.0869 0.281
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.1579 0.5
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0024 0.0461 0.107
Echinococcus granulosus DNA methyltransferase 2, putative 0.0024 0.0461 0.0823
Schistosoma mansoni hypothetical protein 0.0019 0.0225 0.0728
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.3091 1
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.511
Echinococcus granulosus disco interacting protein 2 0.0047 0.1575 0.471
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.1579 0.5
Echinococcus multilocularis dna polymerase kappa 0.0047 0.1579 0.4726
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.1511 0.3507
Echinococcus granulosus cpg binding protein 0.004 0.1277 0.3671
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1579 1
Schistosoma mansoni hypothetical protein 0.0041 0.1311 0.4242
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.1579 0.511
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.1579 0.5
Toxoplasma gondii DNA methyltransferase 2, putative 0.0024 0.0461 0.107
Brugia malayi Disco-interacting protein 2 homolog 0.0047 0.1575 0.1575
Leishmania major modification methylase-like protein 0.0024 0.0461 0.1492
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.511
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0047 0.1575 0.5095
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1579 1
Giardia lamblia DINP protein human, muc B family 0.0047 0.1579 1
Trypanosoma brucei unspecified product 0.0047 0.1579 0.511
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2247 0.2247
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Leishmania major DNA polymerase eta, putative 0.0077 0.3091 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0225 0.0225
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1311 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Schistosoma mansoni hypothetical protein 0.0019 0.0225 0.0728
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.511
Schistosoma mansoni hypothetical protein 0.0019 0.0225 0.0728
Loa Loa (eye worm) hypothetical protein 0.0077 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.006 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0019 0.0225 0.0225
Echinococcus multilocularis disco interacting protein 2 0.0047 0.1575 0.471
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.511
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Echinococcus granulosus dna polymerase eta 0.0077 0.3091 1
Leishmania major DNA polymerase kappa, putative 0.0047 0.1579 0.511
Schistosoma mansoni hypothetical protein 0.0019 0.0225 0.0728
Toxoplasma gondii hypothetical protein 0.0102 0.431 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.09 uM PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 64.74 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.0115 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) 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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