Detailed information for compound 2071089

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 404.283 | Formula: C17H16Cl2FNO3S
  • H donors: 0 H acceptors: 3 LogP: 3.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1ccccc1F)C)CS(=O)(=O)Cc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C17H16Cl2FNO3S/c1-21(9-13-4-2-3-5-16(13)20)17(22)11-25(23,24)10-12-6-7-14(18)15(19)8-12/h2-8H,9-11H2,1H3
  • InChiKey: CVWUTQBFOHVMGQ-UHFFFAOYSA-N  

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
Brugia malayi Pre-SET motif family protein 0.0251 0.8749 1
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0246 0.8564 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0246 0.8564 0.5
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0246 0.8564 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5999 0.7005
Schistosoma mansoni hypothetical protein 0.0205 0.7066 0.8251
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5999 0.849
Loa Loa (eye worm) acetyltransferase 0.0175 0.5999 0.6857
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0991 0.6407
Brugia malayi Cytochrome P450 family protein 0.0019 0.0381 0.0436
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0381 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0381 0.0445
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) 0.0246 0.8564 1
Schistosoma mansoni hypothetical protein 0.0205 0.7066 0.8251
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1392 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1547 1
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0381 0.0436
Loa Loa (eye worm) hypothetical protein 0.0011 0.0073 0.0084
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0381 0.0436
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0991 0.1157
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1392 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0943 0.1335
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0381 0.0436
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8749 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0381 0.0436
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1392 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0991 0.1403
Leishmania major cytochrome p450-like protein 0.0019 0.0381 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1547 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1547 0.2189
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0381 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0991 0.1157
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0381 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0991 0.1133
Echinococcus granulosus geminin 0.0205 0.7066 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1547 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5822 0.824
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0991 0.1403
Schistosoma mansoni ATP synthase F0 subunit 6 0.0246 0.8564 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0991 0.1157
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0991 0.1403
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5999 0.6857
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0991 0.1157
Echinococcus multilocularis geminin 0.0205 0.7066 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0991 0.1133

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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