Detailed information for compound 1153802

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.39 | Formula: C20H20FN3O2
  • H donors: 1 H acceptors: 3 LogP: 1.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C2(N1)CCN(CC2)C(=O)c1cccc(c1)F)c1ccncc1
  • InChi: 1S/C20H20FN3O2/c21-16-3-1-2-15(12-16)19(26)24-10-6-20(7-11-24)17(13-18(25)23-20)14-4-8-22-9-5-14/h1-5,8-9,12,17H,6-7,10-11,13H2,(H,23,25)
  • InChiKey: CCTWVUBKPZCKOM-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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.1822 0.1822
Echinococcus multilocularis tar DNA binding protein 0.0134 0.4395 0.4395
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0565 0.0565
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0079 0.195 0.5
Echinococcus granulosus zinc finger protein 0.0045 0.0462 0.0462
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0079 0.195 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.5415 0.5415
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.013 0.4228 0.4228
Loa Loa (eye worm) RNA binding protein 0.0134 0.4395 0.4395
Loa Loa (eye worm) hypothetical protein 0.0094 0.2628 0.2628
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4395 0.7527
Echinococcus granulosus tar DNA binding protein 0.0134 0.4395 0.4395
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.005 0.005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.1826 0.1826
Echinococcus multilocularis survival motor neuron protein 1 0.026 1 1
Brugia malayi PHD-finger family protein 0.0056 0.0963 0.0963
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.335 0.335
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0386 0.0386
Loa Loa (eye worm) acetyltransferase 0.0166 0.5839 0.5839
Trichomonas vaginalis inositol monophosphatase, putative 0.0079 0.195 0.1888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.005 0.0086
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.195 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.4395 0.4395
Brugia malayi TAR-binding protein 0.0134 0.4395 0.4395
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4395 0.7527
Entamoeba histolytica hypothetical protein 0.0076 0.1826 0.9209
Trichomonas vaginalis conserved hypothetical protein 0.0192 0.698 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.005 0.0086
Echinococcus granulosus survival motor neuron protein 1 0.026 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.1826 0.3127
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.005 0.0086
Loa Loa (eye worm) inositol-1 0.0079 0.195 0.195
Echinococcus multilocularis inositol monophosphatase 1 0.0079 0.195 0.195
Loa Loa (eye worm) bromodomain containing protein 0.0041 0.0283 0.0283
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.005 0.0086
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.5839 0.5839
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4395 0.7527
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0382 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.1822 0.1822
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0079 0.195 0.1888
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0079 0.195 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.1826 0.1826
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4395 0.7527
Loa Loa (eye worm) hypothetical protein 0.0197 0.722 0.722
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0079 0.195 0.1888
Schistosoma mansoni inositol monophosphatase 0.0079 0.195 0.334
Schistosoma mansoni zinc finger protein 0.0045 0.0462 0.0792
Schistosoma mansoni hypothetical protein 0.0075 0.1799 0.3082
Echinococcus multilocularis zinc finger protein 0.0045 0.0462 0.0462
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.013 0.4228 0.4228
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0044 0.0386 0.0661
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.195 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.5087 0.5087
Brugia malayi RNA binding protein 0.0134 0.4395 0.4395
Entamoeba histolytica hypothetical protein 0.0076 0.1826 0.9209
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0079 0.195 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.195 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.195 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0565 0.0968
Brugia malayi hypothetical protein 0.0076 0.1826 0.1826
Loa Loa (eye worm) hypothetical protein 0.009 0.2448 0.2448
Schistosoma mansoni bromodomain containing protein 0.0137 0.4564 0.7817
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.335 0.335
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.005 0.005
Schistosoma mansoni survival motor neuron protein 0.0053 0.0806 0.138
Schistosoma mansoni hypothetical protein 0.0053 0.0806 0.138
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0197 0.722 0.722
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4395 0.7527
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0052 0.0779 0.5
Entamoeba histolytica hypothetical protein 0.0076 0.1826 0.9209
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.5839 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0806 0.0806
Loa Loa (eye worm) hypothetical protein 0.0081 0.2051 0.2051
Echinococcus granulosus histone acetyltransferase KAT2B 0.0052 0.0779 0.0779
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0565 0.0565
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.4395 0.4395
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.335 0.335
Onchocerca volvulus 0.0053 0.0806 0.5
Brugia malayi Bromodomain containing protein 0.0162 0.5664 0.5664
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.1583 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.005 0.005
Brugia malayi Bromodomain containing protein 0.0085 0.222 0.222
Loa Loa (eye worm) hypothetical protein 0.011 0.335 0.335
Entamoeba histolytica hypothetical protein 0.0076 0.1826 0.9209
Schistosoma mansoni hypothetical protein 0.0076 0.1826 0.3127
Brugia malayi Inositol-1 0.0079 0.195 0.195
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.1799 0.1799
Schistosoma mansoni inositol monophosphatase 0.0079 0.195 0.334
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.5839 0.5839
Loa Loa (eye worm) TAR-binding protein 0.0134 0.4395 0.4395
Echinococcus granulosus inositol monophosphatase 1 0.0079 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0075 0.1799 0.1799
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.007 0.1583 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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