Detailed information for compound 1776739

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.802 | Formula: C17H12ClF3N2O3S
  • H donors: 1 H acceptors: 3 LogP: 5.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)C(F)(F)F)Cl
  • InChi: 1S/C17H12ClF3N2O3S/c1-3-26-16(25)13-8(2)10(7-22)15(27-13)23-14(24)9-4-5-12(18)11(6-9)17(19,20)21/h4-6H,3H2,1-2H3,(H,23,24)
  • InChiKey: WGSGVUKGPWJUDX-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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Schistosoma mansoni Protein orai-1 0.7 1 1
Plasmodium falciparum tyrosine kinase-like protein 0.0123 0.0115 0.5
Schistosoma mansoni Protein orai-1 0.7 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0031 0.0822
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0023 0.0608
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0123 0.0115 0.5
Loa Loa (eye worm) hypothetical protein 0.1549 0.2165 0.2157
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0123 0.0115 1
Schistosoma mansoni hypothetical protein 0.0709 0.0958 0.0853
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0145 0.3322
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0115 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0115 0.5
Echinococcus granulosus stromal interaction molecule 1 0.1549 0.2165 0.2074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Loa Loa (eye worm) hypothetical protein 0.0123 0.0115 0.0105
Echinococcus multilocularis calcium release activated calcium channel 0.7 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0013 0.0358
Echinococcus multilocularis stromal interaction molecule 1 0.1549 0.2165 0.2074
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0115 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0304 0.0375 1
Brugia malayi coiled-coil like protein 1 0.0123 0.0115 0.0105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Brugia malayi Liprin-alpha 2 0.0123 0.0115 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.0375 1
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0123 0.0115 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.0375 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.0169 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0115 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0031 0.0822
Loa Loa (eye worm) hypothetical protein 0.0123 0.0115 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0145 0.3871
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0011 0.0296
Brugia malayi Neurabin protein 1 0.0123 0.0115 0.0105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Plasmodium falciparum protein kinase, putative 0.0123 0.0115 0.5
Onchocerca volvulus 0.0123 0.0115 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Loa Loa (eye worm) hypothetical protein 0.0123 0.0115 0.0105
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0031 0.0822
Loa Loa (eye worm) hypothetical protein 0.7 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0304 0.0375 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0123 0.0115 0.5
Brugia malayi Tnks protein 0.0123 0.0115 0.0105
Schistosoma mansoni hypothetical protein 0.084 0.1146 0.1042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Brugia malayi hypothetical protein 0.1549 0.2165 0.2157
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.0145 0.3871
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0031 0.0822
Onchocerca volvulus 0.0123 0.0115 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.0115 0.0105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Brugia malayi hypothetical protein 0.0123 0.0115 0.0105
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0123 0.0115 0.0105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0031 0.0822
Echinococcus granulosus calcium release activated calcium channel 0.7 1 1
Mycobacterium ulcerans hypothetical protein 0.016 0.0169 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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