Detailed information for compound 1341186

Basic information

Technical information
  • TDR Targets ID: 1341186
  • Name: 2-(3-bromo-1-adamantyl)-N-(3-sulfamoylphenyl) acetamide
  • MW: 427.356 | Formula: C18H23BrN2O3S
  • H donors: 2 H acceptors: 3 LogP: 2.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC12CC3CC(C1)CC(C2)(C3)Br)Nc1cccc(c1)S(=O)(=O)N
  • InChi: 1S/C18H23BrN2O3S/c19-18-8-12-4-13(9-18)7-17(6-12,11-18)10-16(22)21-14-2-1-3-15(5-14)25(20,23)24/h1-3,5,12-13H,4,6-11H2,(H,21,22)(H2,20,23,24)
  • InChiKey: DMZJYLMBMQACPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-bromo-1-adamantyl)-N-(3-sulfamoylphenyl)ethanamide
  • T0515-7878

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
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
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 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
Trypanosoma brucei C2 domain containing protein, putative 0.0004 0 0.5
Trypanosoma cruzi cAMP binding protein, putative 0.0004 0 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0529 1
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Plasmodium vivax perforin-like protein 4 0.0015 0.1504 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0113 0.0113
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 1
Trypanosoma cruzi C2 domain containing protein, putative 0.0004 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Chlamydia trachomatis hypothetical protein 0.0015 0.1504 0.5
Trypanosoma brucei predicted C2 domain protein 0.0004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0638 0.1363
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0004 0.007
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0004 0 0.5
Trypanosoma cruzi cytoskeleton associated protein, putative 0.0004 0 0.5
Onchocerca volvulus 0.0035 0.4395 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0638 0.1363
Trypanosoma brucei C2 domain containing protein, putative 0.0004 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma brucei predicted C2 domain protein 0.0004 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0943 0.2145
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma cruzi cytoskeleton associated protein, putative 0.0004 0 0.5
Leishmania major c2 domain protein, putative 0.0004 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0004 0 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0529 1
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Trypanosoma brucei C2 domain/Ankyrin repeats (3 copies), putative 0.0004 0 0.5
Plasmodium falciparum perforin-like protein 4 0.0015 0.1504 1
Echinococcus granulosus cpg binding protein 0.0037 0.468 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0638 0.1363
Trypanosoma brucei cAMP binding protein, putative 0.0004 0 0.5
Trypanosoma cruzi synaptotagmin, putative 0.0004 0 0.5
Plasmodium vivax perforin-like protein 1 0.0015 0.1504 1
Plasmodium falciparum perforin-like protein 1 0.0015 0.1504 1
Plasmodium falciparum perforin-like protein 2 0.0015 0.1504 1
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Entamoeba histolytica C2 domain protein, putative 0.0004 0 0.5
Leishmania major phospholipase c-like protein 0.0004 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Entamoeba histolytica Rap/Ran GTPase activating protein, putative 0.0004 0 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4395 1
Schistosoma mansoni cpg binding protein 0.0037 0.468 0.468
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Trypanosoma brucei Coiled-coil and C2 domain-containing protein 0.0004 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0004 0.007
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0923 0.21
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.1504 0.1504
Plasmodium falciparum perforin-like protein 5 0.0015 0.1504 1
Echinococcus multilocularis cpg binding protein 0.0037 0.468 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Plasmodium vivax perforin-like protein 5 0.0015 0.1504 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0638 0.1363
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0943 0.2014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0529 1
Trypanosoma cruzi Coiled-coil and C2 domain-containing protein 0.0004 0 0.5
Entamoeba histolytica DENN domain protein 0.0004 0 0.5
Entamoeba histolytica protein kinase, putative 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5
Leishmania major c2 domain protein, putative 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0004 0 0.5
Toxoplasma gondii perforin-like protein PLP1 0.0015 0.1504 0.1696
Trypanosoma cruzi C2 domain/Ankyrin repeats (3 copies), putative 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Trypanosoma brucei C2 domain containing protein, putative 0.0004 0 0.5
Trypanosoma cruzi synaptotagmin, putative 0.0004 0 0.5
Entamoeba histolytica protein kinase, putative 0.0004 0 0.5
Trypanosoma brucei C2 domain containing protein, putative 0.0004 0 0.5
Leishmania major copine i-like protein 0.0004 0 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0638 0.0638
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0015 0.1504 0.1696
Entamoeba histolytica calcium-binding protein, putative 0.0004 0 0.5
Plasmodium falciparum perforin-like protein 3 0.0015 0.1504 1
Trypanosoma brucei predicted C2 domain protein 0.0004 0 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.4395 0.4395
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0943 0.2014
Plasmodium vivax perforin-like protein 2 0.0015 0.1504 1
Echinococcus multilocularis macrophage expressed protein 0.0015 0.1504 0.3214
Trichomonas vaginalis hypothetical protein 0.0004 0.0004 0.007
Echinococcus granulosus macrophage expressed protein 0.0015 0.1504 0.3214
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0004 0 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.4395 1
Trypanosoma brucei synaptotagmin, putative 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0529 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0529 1
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Plasmodium vivax perforin-like protein 3 0.0015 0.1504 1
Schistosoma mansoni cpg binding protein 0.0037 0.468 0.468
Entamoeba histolytica C2 domain containing protein 0.0004 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 15.8489 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

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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