Detailed information for compound 1154205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.48 | Formula: C20H28FN7O2
  • H donors: 3 H acceptors: 5 LogP: 0.96 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(Cc1ccccc1F)CC(=O)N1CCC[C@H]1C(=O)NCCCCc1n[nH]nn1
  • InChi: 1S/C20H28FN7O2/c21-16-7-2-1-6-14(16)12-15(22)13-19(29)28-11-5-8-17(28)20(30)23-10-4-3-9-18-24-26-27-25-18/h1-2,6-7,15,17H,3-5,8-13,22H2,(H,23,30)(H,24,25,26,27)/t15?,17-/m0/s1
  • InChiKey: CUQZCYHXCIEDPG-LWKPJOBUSA-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
Loa Loa (eye worm) hypothetical protein 0.0126 0.1162 0.3332
Echinococcus granulosus CD36 class B scavenger receptor 0.0334 0.3488 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0169 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.2468 0.7077
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0218 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0218 0.5
Echinococcus multilocularis CD36 class B scavenger receptor 0.0334 0.3488 0.3488
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 0.1241 0.1241
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0218 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.0022 0 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0169 0.5
Brugia malayi hypothetical protein 0.0126 0.1162 0.3332
Schistosoma mansoni inositol monophosphatase 0.0042 0.0218 0.0624
Brugia malayi CD36 family protein 0.0334 0.3488 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0218 0.5
Echinococcus multilocularis CD36 class B scavenger receptor 0.0334 0.3488 0.3488
Echinococcus granulosus CD36 class B scavenger receptor 0.0334 0.3488 1
Loa Loa (eye worm) inositol-1 0.0042 0.0218 0.0624
Echinococcus multilocularis CD36 class B scavenger receptor 0.0334 0.3488 0.3488
Loa Loa (eye worm) hypothetical protein 0.0126 0.1162 0.3332
Echinococcus multilocularis CD36 class B scavenger receptor 0.0334 0.3488 0.3488
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0218 0.0218
Schistosoma mansoni survival motor neuron protein 0.005 0.0305 0.0875
Brugia malayi hypothetical protein 0.0126 0.1162 0.3332
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0218 0.5
Echinococcus granulosus CD36 class B scavenger receptor 0.0334 0.3488 1
Brugia malayi Inositol-1 0.0042 0.0218 0.0624
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0218 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0218 0.5
Echinococcus granulosus CD36 class B scavenger receptor 0.0334 0.3488 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0334 0.3488 1
Brugia malayi hypothetical protein 0.0243 0.2468 0.7077
Loa Loa (eye worm) hypothetical protein 0.0334 0.3488 1
Schistosoma mansoni hypothetical protein 0.005 0.0305 0.0875
Echinococcus multilocularis CD36 class B scavenger receptor 0.0334 0.3488 0.3488
Schistosoma mansoni CD36-like class B scavenger receptor 0.0334 0.3488 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0218 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.1162 0.3332
Schistosoma mansoni CD36-like class B scavenger receptor 0.0334 0.3488 1
Schistosoma mansoni inositol monophosphatase 0.0042 0.0218 0.0624
Loa Loa (eye worm) hypothetical protein 0.0334 0.3488 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0305 0.0875
Echinococcus granulosus lysosome membrane protein 2 0.0334 0.3488 1
Plasmodium falciparum LCCL domain-containing protein 0.0022 0 0.5
Echinococcus multilocularis lysosome membrane protein 2 0.0334 0.3488 0.3488
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0334 0.3488 1
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.2468 0.2468
Schistosoma mansoni cd36 antigen 0.0126 0.1162 0.3332
Loa Loa (eye worm) hypothetical protein 0.0334 0.3488 1
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0218 0.0624
Schistosoma mansoni lipoxygenase 0.0093 0.0793 0.2273
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0133 0.1241 0.3559
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0218 0.5
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0334 0.3488 1
Schistosoma mansoni lipoxygenase 0.0133 0.1241 0.3559
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0218 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0218 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.2468 0.7077
Onchocerca volvulus 0.005 0.0305 0.0875

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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