Detailed information for compound 1431474

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.432 | Formula: C17H21N3O3S
  • H donors: 3 H acceptors: 3 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C
  • InChi: 1S/C17H21N3O3S/c1-4-14-7-5-6-8-15(14)18-17(21)19-20-24(22,23)16-11-12(2)9-10-13(16)3/h5-11,20H,4H2,1-3H3,(H2,18,19,21)
  • InChiKey: SKHWYTVLGURQJV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
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
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Onchocerca volvulus 0.0035 0.4393 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Echinococcus granulosus cpg binding protein 0.0037 0.4678 0.8345
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.548 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0629
Brugia malayi beta-NAC-like protein 0.0042 0.548 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.548 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.0958
Entamoeba histolytica hypothetical protein 0.0042 0.548 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 0.8345
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0629
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis helicase, putative 0.0008 0.0525 0.0958
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 0.7606
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 0.7616
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.548 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Schistosoma mansoni transcription factor btf3 0.0042 0.548 0.5431
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Leishmania major basic transcription factor 3a, putative 0.0042 0.548 0.5
Loa Loa (eye worm) ICD-1 protein 0.0042 0.548 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.548 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.548 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Echinococcus granulosus transcription factor btf3 0.0042 0.548 1
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.548 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.0958
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.548 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.207 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 21.618 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 31.6228 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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