Detailed information for compound 888811

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.853 | Formula: C16H19ClN2OS
  • H donors: 0 H acceptors: 2 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(N(C(=O)c1csc(n1)Cc1ccccc1Cl)C)C
  • InChi: 1S/C16H19ClN2OS/c1-4-11(2)19(3)16(20)14-10-21-15(18-14)9-12-7-5-6-8-13(12)17/h5-8,10-11H,4,9H2,1-3H3
  • InChiKey: OYEFSSJIXUMUIE-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
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0647 0.5849
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0365 0.0462
Brugia malayi Latrophilin receptor protein 2 0.003 0.0186 0.1031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0365 0.2899
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0088 0.5
Echinococcus granulosus Squalene phytoene synthase 0.008 0.0837 0.1682
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0365 0.3418
Leishmania major squalene synthase, putative 0.0258 0.3152 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0647 0.6152
Echinococcus granulosus geminin 0.0327 0.4057 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0365 0.0462
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.1045 1
Schistosoma mansoni hypothetical protein 0.0327 0.4057 1
Trypanosoma cruzi squalene synthase, putative 0.0258 0.3152 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0088 0.1047
Schistosoma mansoni hypothetical protein 0.0327 0.4057 1
Echinococcus multilocularis geminin 0.0327 0.4057 0.3944
Trypanosoma brucei squalene synthase, putative 0.0258 0.3152 0.5
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.008 0.0837 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1045 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0365 0.0462
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0088 0.0915
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0915
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0915
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0731
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0012 0.5
Echinococcus multilocularis Squalene phytoene synthase 0.008 0.0837 0.0663
Mycobacterium ulcerans hypothetical protein 0.0023 0.0088 0.0915
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.008 0.0837 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0088 0.0915
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0731
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0088 0.1047
Loa Loa (eye worm) hypothetical protein 0.008 0.0837 0.7993
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0088 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.1045 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0088 0.0915
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0365 0.0182
Leishmania major hypothetical protein, conserved 0.008 0.0837 0.2446
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0088 0.5
Schistosoma mansoni hypothetical protein 0.0066 0.0647 0.1191
Schistosoma mansoni hypothetical protein 0.008 0.0837 0.1682
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0088 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0365 0.0462
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.1045 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0731
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0365 0.0462
Loa Loa (eye worm) hypothetical protein 0.003 0.0186 0.1687
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0186 0.1031
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0186 0.1687
Mycobacterium ulcerans phytoene synthase, CrtB 0.008 0.0837 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0012 0.0145
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0088 0.0915
Trypanosoma cruzi squalene synthase, putative 0.0258 0.3152 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0012 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0365 0.0182
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0012 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0088 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0915

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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