Detailed information for compound 1225362

Basic information

Technical information
  • TDR Targets ID: 1225362
  • Name: ZINC02620846
  • MW: 347.841 | Formula: C12H14ClN3O3S2
  • H donors: 1 H acceptors: 3 LogP: 1.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(ccc1Cl)S(=O)(=O)N(C)C)NC1=NCCS1
  • InChi: 1S/C12H14ClN3O3S2/c1-16(2)21(18,19)8-3-4-10(13)9(7-8)11(17)15-12-14-5-6-20-12/h3-4,7H,5-6H2,1-2H3,(H,14,15,17)
  • InChiKey: IFMXFNTYHZYZOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T5260692

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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) hypothetical protein 0.0014 0.143 0.1156
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.5183 1
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.5183 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.3615 0.6322
Loa Loa (eye worm) hypothetical protein 0.0029 0.3615 0.6305
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.5183 1
Echinococcus granulosus lamin 0.0029 0.3615 0.6553
Echinococcus multilocularis musashi 0.0029 0.3615 0.6553
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.5183 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.5183 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Echinococcus granulosus intermediate filament protein 0.0029 0.3615 0.6553
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.5183 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.5026 0.4971
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 0.8891
Loa Loa (eye worm) hypothetical protein 0.0029 0.3538 0.6123
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.5183 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.067
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.5183 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.143 0.1749
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.5026 0.9655
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.1013
Echinococcus granulosus cpg binding protein 0.0037 0.4678 0.8891
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.5183 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.5183 1
Echinococcus multilocularis lamin dm0 0.0029 0.3615 0.6553
Loa Loa (eye worm) hypothetical protein 0.0014 0.1353 0.0974
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.5026 0.9655
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Loa Loa (eye worm) intermediate filament protein 0.0029 0.3615 0.6305
Brugia malayi hypothetical protein 0.0039 0.5026 0.9632
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 0.8148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Trichomonas vaginalis helicase, putative 0.0008 0.0525 0.1013
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.004 0.5183 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.5183 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.5183 1
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.1654 0.1723
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.5183 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.5183 0.5129
Schistosoma mansoni lamin 0.0029 0.3615 0.3544
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.5183 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.3615 0.6305
Onchocerca volvulus 0.0035 0.4393 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.067
Schistosoma mansoni intermediate filament proteins 0.0029 0.3615 0.3544
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.143 0.1749
Loa Loa (eye worm) hypothetical protein 0.004 0.5183 1
Schistosoma mansoni hypothetical protein 0.0039 0.5026 0.4971
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Schistosoma mansoni lamin 0.0029 0.3615 0.3544
Loa Loa (eye worm) hypothetical protein 0.0014 0.1353 0.0974
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.5183 0.5129
Brugia malayi intermediate filament protein 0.0029 0.3615 0.6322
Echinococcus granulosus lamin dm0 0.0029 0.3615 0.6553
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1013
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.5183 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 0.8139
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.1654 0.1685
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1013
Echinococcus multilocularis lamin 0.0029 0.3615 0.6553

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 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) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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