Detailed information for compound 833747

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.486 | Formula: C22H21N3O2S
  • H donors: 1 H acceptors: 2 LogP: 5.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc(cc1)C1=NC(=Nc2c(N1)cc(OC)cc2)c1cccs1
  • InChi: 1S/C22H21N3O2S/c1-3-12-27-16-8-6-15(7-9-16)21-24-19-14-17(26-2)10-11-18(19)23-22(25-21)20-5-4-13-28-20/h4-11,13-14H,3,12H2,1-2H3,(H,23,24,25)
  • InChiKey: ZAHLWIBVYIWSIX-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
Echinococcus granulosus glycogen phosphorylase 0.0109 0.2576 0.252
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.2576 1
Loa Loa (eye worm) glycogen phosphorylase 0.0109 0.2576 1
Chlamydia trachomatis glycogen phosphorylase 0.0109 0.2576 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.2576 1
Echinococcus granulosus glycogen phosphorylase 0.0109 0.2576 0.252
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.2576 0.252
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.2576 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.2002
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Echinococcus multilocularis cpg binding protein 0.0031 0.0648 0.0578
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1242 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.3332 0.3871
Schistosoma mansoni glycogen phosphorylase 0.0047 0.1056 0.1056
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1403 0.1403
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.7153 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.1993
Echinococcus granulosus Glycosyl transferase family 35 0.0109 0.2576 0.252
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1142 0.0358
Schistosoma mansoni glycogen phosphorylase 0.0109 0.2576 0.2576
Echinococcus granulosus cpg binding protein 0.0031 0.0648 0.0578
Onchocerca volvulus Glycogen phosphorylase homolog 0.0109 0.2576 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.2576 1
Schistosoma mansoni hypothetical protein 0.0412 1 1
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Echinococcus multilocularis dnaJ subfamily B 0.0412 1 1
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.2576 0.252
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.372 1
Brugia malayi carbohydrate phosphorylase 0.0109 0.2576 1
Mycobacterium ulcerans hypothetical protein 0.0156 0.372 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.7153 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.7153 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.7153 1
Giardia lamblia Glycogen phosphorylase 0.0109 0.2576 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Schistosoma mansoni glycogen phosphorylase 0.0109 0.2576 0.2576
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.3332 0.3871
Echinococcus multilocularis Glycosyl transferase, family 35 0.0109 0.2576 0.252

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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