Detailed information for compound 370054

Basic information

Technical information
  • TDR Targets ID: 370054
  • Name: 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diam ine
  • MW: 284.722 | Formula: C10H9ClN4O2S
  • H donors: 2 H acceptors: 4 LogP: 1.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)c1cnc(nc1N)N
  • InChi: 1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)18(16,17)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
  • InChiKey: RPPFHWBHHCJZJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-amino-5-(4-chlorophenyl)sulfonyl-pyrimidin-4-yl]amine
  • ZINC00165976
  • IDI1_014894
  • Maybridge3_003507

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
SARS coronavirus SARS coronavirus 3C-like proteinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium knowlesi Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus granulosus MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma cruzi Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium yoelii ATPase associated with chromosome architecture/replication Get druggable targets OG5_127054 All targets in OG5_127054
Brugia malayi Appr-1-p processing enzyme family protein Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium vivax hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Candida albicans potential Appr-1-p processing enzyme family member Get druggable targets OG5_127054 All targets in OG5_127054
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Mycobacterium tuberculosis Possible lipoprotein LppD Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium berghei Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Mycobacterium ulcerans lipoprotein LppD Get druggable targets OG5_127054 All targets in OG5_127054
Candida albicans potential Appr-1-p processing enzyme family member Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus multilocularis MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus granulosus MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Toxoplasma gondii macro domain-containing protein Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus multilocularis MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma brucei Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Giardia lamblia Protein LRP16 Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium falciparum Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma cruzi Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma congolense Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Neospora caninum hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
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
Leishmania major DNA polymerase eta, putative 0.0023 1 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 1 1
Brugia malayi Appr-1-p processing enzyme family protein 0.0017 0.4134 0.4134
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 1 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 1 1
Onchocerca volvulus 0.0012 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 1 1
Schistosoma mansoni DNA polymerase eta 0.0023 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 1 1
Echinococcus granulosus MACRO domain containing protein 2 0.0017 0.4134 0.4134
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei unspecified product 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei Macro domain containing protein, putative 0.0017 0.4134 0.0998
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus multilocularis MACRO domain containing protein 2 0.0017 0.4134 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 1 1
Echinococcus multilocularis MACRO domain containing protein 2 0.0017 0.4134 0.4134
Plasmodium falciparum Appr-1-p processing domain protein 0.0017 0.4134 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.4134 0.4134
Plasmodium vivax hypothetical protein, conserved 0.0017 0.4134 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.4134 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus MACRO domain containing protein 2 0.0017 0.4134 0.4134
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 1 1
Toxoplasma gondii macro domain-containing protein 0.0017 0.4134 0.5
Echinococcus granulosus dna polymerase eta 0.0023 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.4134 0.4134

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 uM Inhibition of SARS coronavirus main protease ChEMBL. 16913704
IC50 (binding) = 6 uM Inhibition of SARS coronavirus main protease ChEMBL. 16913704
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.