Detailed information for compound 907698

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 491.314 | Formula: C19H15Cl2F3N4O2S
  • H donors: 2 H acceptors: 2 LogP: 5.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1nn2c(c1Cl)NC(CC2C(F)(F)F)c1cccs1)Cl
  • InChi: 1S/C19H15Cl2F3N4O2S/c1-30-12-5-4-9(20)7-10(12)26-18(29)16-15(21)17-25-11(13-3-2-6-31-13)8-14(19(22,23)24)28(17)27-16/h2-7,11,14,25H,8H2,1H3,(H,26,29)
  • InChiKey: KIVFFJOXZJLATH-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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.7424 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.7424 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.4163 0.4395
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.5463 0.4979
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.7424 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0535 0.0721
Loa Loa (eye worm) hypothetical protein 0.0075 0.9228 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.7424 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.2951 0.3975
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.724 0.9752
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.7424 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.2951 0.3975
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.7424 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.2617 0.2684
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0535 0.0721
Loa Loa (eye worm) hypothetical protein 0.0053 0.5463 0.5833
Schistosoma mansoni bromodomain containing protein 0.0067 0.7886 1
Schistosoma mansoni hypothetical protein 0.0036 0.2617 0.3318
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.7424 0.9414
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.5463 0.4979
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0535 0.0679
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.7424 0.9414
Loa Loa (eye worm) hypothetical protein 0.0041 0.3391 0.3541
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.7424 1
Brugia malayi Bromodomain containing protein 0.0041 0.3378 0.2673
Schistosoma mansoni hypothetical protein 0.0022 0.0191 0.0242
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.7424 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.2617 0.183
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.724 0.9752
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.5463 0.5833
Loa Loa (eye worm) hypothetical protein 0.0043 0.3818 0.4014

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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