Detailed information for compound 1151742

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.857 | Formula: C20H22ClF2N3O2
  • H donors: 1 H acceptors: 2 LogP: 1.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@H]1CCN(C1)C(=O)[C@H]([C@H](c1ccc(cc1)c1cn(C)c(=O)c(c1F)Cl)C)N
  • InChi: 1S/C20H22ClF2N3O2/c1-11(18(24)20(28)26-8-7-14(22)9-26)12-3-5-13(6-4-12)15-10-25(2)19(27)16(21)17(15)23/h3-6,10-11,14,18H,7-9,24H2,1-2H3/t11-,14-,18-/m0/s1
  • InChiKey: HVQFKWDYNDVJHE-MIUNTBIASA-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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.9507 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.1015 0.1015
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1634 0.1634
Brugia malayi RNA recognition motif domain containing protein 0.0063 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.9507 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1634 0.5
Echinococcus granulosus GPCR family 2 0.0015 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0049 0.7309 0.7309
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.9507 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1634 0.1634
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.9507 0.9507
Loa Loa (eye worm) hypothetical protein 0.0015 0.1015 0.1015
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1634 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.1015 0.1015
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0015 0.1015 0.1015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.7309 0.7309
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.7309 0.7309
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.9507 1
Loa Loa (eye worm) RNA binding protein 0.0063 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1634 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1634 0.1634
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.1015 0.1015
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1634 0.1634
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.9507 0.9507
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.4395 0.4395
Schistosoma mansoni hypothetical protein 0.0015 0.1015 0.1015
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.1015 0.1015
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.9507 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.1634 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.1015 0.1015
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.9507 0.9507
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.1015 0.1015
Echinococcus multilocularis tar DNA binding protein 0.0063 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1634 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.7309 0.7309
Brugia malayi Latrophilin receptor protein 2 0.0015 0.1015 0.1015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.1015 0.1015
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.9507 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1634 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1634 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.1634 0.1634
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1634 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.1015 0.1015
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1634 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.4395 0.4395
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 1 1
Brugia malayi TAR-binding protein 0.0063 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.4395 0.4395
Onchocerca volvulus 0.001 0 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.1634 0.1634
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.1015 0.1015
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1634 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.9507 0.9507
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1634 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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