Detailed information for compound 879694

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.836 | Formula: C16H17ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1CCN(CC1)C(=O)c1csc(n1)c1cccc(c1)Cl
  • InChi: 1S/C16H17ClN2O2S/c17-13-3-1-2-12(8-13)15-18-14(10-22-15)16(21)19-6-4-11(9-20)5-7-19/h1-3,8,10-11,20H,4-7,9H2
  • InChiKey: JYTGPDOOGLPMPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.1199 0.1728
Loa Loa (eye worm) bromodomain containing protein 0.002 0.1197 0.0967
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni zinc finger protein 0.0018 0.0943 0.1338
Schistosoma mansoni hypothetical protein 0.0037 0.2687 0.4001
Echinococcus multilocularis zinc finger protein 0.0025 0.1578 0.2597
Schistosoma mansoni hypothetical protein 0.0037 0.2687 0.4001
Brugia malayi PHD-finger family protein 0.0031 0.215 0.1782
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.5883 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.3157 0.5313
Schistosoma mansoni cpg binding protein 0.0037 0.2764 0.4119
Loa Loa (eye worm) hypothetical protein 0.0082 0.689 0.6809
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.2764 0.4637
Loa Loa (eye worm) hypothetical protein 0.0037 0.2687 0.2495
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.1132 0.1625
Onchocerca volvulus 0.0033 0.2383 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.1132 0.183
Trichomonas vaginalis helicase, putative 0.0008 0 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0255 0.0323
Schistosoma mansoni bromodomain containing protein 0.0075 0.6268 0.9469
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.2687 0.4504
Schistosoma mansoni cpg binding protein 0.0033 0.2383 0.3537
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5394 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.3419 0.3247
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.1132 0.1625
Loa Loa (eye worm) hypothetical protein 0.0051 0.4054 0.3898
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.1516 0.1294
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.6615 0.6456
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.1132 0.183
Loa Loa (eye worm) hypothetical protein 0.002 0.1199 0.0968
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.2687 0.2344
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.2687 0.4504
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.1199 0.1728
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.6615 0.6526
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.2687 0.2495
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.5838 0.8814
Schistosoma mansoni cpg binding protein 0.0037 0.2764 0.4119
Brugia malayi Bromodomain containing protein 0.0044 0.3411 0.3102
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.2687 0.4001
Trypanosoma cruzi ISWI complex protein 0.0018 0.0943 0.5
Echinococcus granulosus zinc finger protein 0.0025 0.1578 0.2597
Loa Loa (eye worm) hypothetical protein 0.0047 0.3673 0.3507
Trypanosoma brucei ISWI complex protein 0.0018 0.0943 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.2383 0.2184
Echinococcus multilocularis GPCR, family 2 0.0037 0.2687 0.4504
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.2687 0.4504
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.3157 0.5313
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.1199 0.1946
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.1199 0.1946
Echinococcus multilocularis cpg binding protein 0.0037 0.2764 0.4637
Brugia malayi CXXC zinc finger family protein 0.0033 0.2383 0.2026
Schistosoma mansoni zinc finger protein 0.0025 0.1578 0.2307
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0037 0.2687 0.2344
Brugia malayi Bromodomain containing protein 0.0089 0.7525 0.7409
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.1896 0.3145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.5883 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.2687 0.4504
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0255 0.0323
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.1896 0.3145
Echinococcus granulosus GPCR family 2 0.0037 0.2687 0.4504
Trypanosoma cruzi ISWI complex protein 0.0018 0.0943 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.1896 0.2793
Schistosoma mansoni hypothetical protein 0.0018 0.0943 0.1338
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Leishmania major hypothetical protein, conserved 0.0018 0.0943 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.6615 1
Schistosoma mansoni hypothetical protein 0.0037 0.2687 0.4001
Schistosoma mansoni hypothetical protein 0.0024 0.1516 0.2212

Activities

No activities found for this compound.

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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