Detailed information for compound 667871

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.331 | Formula: C18H17Cl2N5OS
  • H donors: 1 H acceptors: 4 LogP: 3.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1c1ccncc1
  • InChi: 1S/C18H17Cl2N5OS/c1-2-9-25-17(12-5-7-21-8-6-12)23-24-18(25)27-11-16(26)22-15-4-3-13(19)10-14(15)20/h3-8,10H,2,9,11H2,1H3,(H,22,26)
  • InChiKey: MTWXDVKCJWYSMU-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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.133 0.1295
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.2525 0.2849
Loa Loa (eye worm) hypothetical protein 0.0027 0.0428 0.0389
Echinococcus multilocularis geminin 0.0189 0.713 1
Echinococcus granulosus intermediate filament protein 0.0058 0.1719 0.1874
Loa Loa (eye worm) hypothetical protein 0.0033 0.069 0.0653
Loa Loa (eye worm) hypothetical protein 0.0058 0.1719 0.1686
Loa Loa (eye worm) intermediate filament protein 0.0058 0.1719 0.1686
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.004 0.139
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0288 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0288 1
Schistosoma mansoni lamin 0.0058 0.1719 0.1598
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0428 0.0389
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.1719 0.1686
Echinococcus multilocularis lamin dm0 0.0058 0.1719 0.1874
Entamoeba histolytica hypothetical protein 0.0078 0.2525 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0288 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.06 0.0562
Schistosoma mansoni hypothetical protein 0.0189 0.713 1
Entamoeba histolytica hypothetical protein 0.0078 0.2525 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Onchocerca volvulus 0.0058 0.1719 1
Brugia malayi intermediate filament protein 0.0058 0.1719 0.1474
Entamoeba histolytica hypothetical protein 0.0078 0.2525 1
Schistosoma mansoni lamin 0.0058 0.1719 0.1598
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.2525 0.3083
Onchocerca volvulus 0.0058 0.1719 1
Echinococcus granulosus geminin 0.0189 0.713 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0288 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.2525 0.3083
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0288 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.5
Schistosoma mansoni hypothetical protein 0.0078 0.2525 0.2849
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.5
Echinococcus granulosus lamin 0.0058 0.1719 0.1874
Echinococcus granulosus lamin dm0 0.0058 0.1719 0.1874
Loa Loa (eye worm) hypothetical protein 0.0049 0.133 0.1295
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.06 0.0321
Loa Loa (eye worm) hypothetical protein 0.0057 0.1675 0.1642
Echinococcus multilocularis musashi 0.0058 0.1719 0.1874
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.004 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0472 0.0433
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.133 0.1073
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.069 0.0414
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0288 0.5
Echinococcus multilocularis lamin 0.0058 0.1719 0.1874
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 1
Schistosoma mansoni intermediate filament proteins 0.0058 0.1719 0.1598
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.133 0.1073
Mycobacterium ulcerans hypothetical protein 0.0024 0.0288 1
Schistosoma mansoni hypothetical protein 0.0189 0.713 1
Entamoeba histolytica hypothetical protein 0.0078 0.2525 1
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.1719 0.1474
Brugia malayi hypothetical protein 0.0078 0.2525 0.2303
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0288 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.004 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.004 0.5

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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