Detailed information for compound 1057594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.417 | Formula: C20H23F3N4O2
  • H donors: 2 H acceptors: 2 LogP: 4.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cccnc1Oc1cccc(c1)C(F)(F)F)\NCCC1CCCN1C
  • InChi: 1S/C20H23F3N4O2/c1-27-12-4-6-15(27)9-11-24-18(26-28)17-8-3-10-25-19(17)29-16-7-2-5-14(13-16)20(21,22)23/h2-3,5,7-8,10,13,15,28H,4,6,9,11-12H2,1H3,(H,24,26)
  • InChiKey: CTQRSZPFVFOMAM-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
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0253 0.4318 0.4318
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0283 0.048
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0007 0.5
Onchocerca volvulus 0.003 0 0.5
Mycobacterium ulcerans glutaminase 0.0273 0.4724 0.5
Giardia lamblia Macrophage migration inhibitory factor 0.0545 1 0.5
Brugia malayi Importin beta-1 subunit 0.0031 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0007 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0283 0.048
Brugia malayi RNA, U transporter 1 0.0087 0.1104 0.1104
Leishmania major macrophage migration inhibitory factor-like protein 0.0545 1 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.5767 0.5767
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0283 0.0283
Schistosoma mansoni glutaminase 0.0273 0.4724 0.819
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0545 1 1
Onchocerca volvulus 0.003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0283 0.048
Plasmodium falciparum macrophage migration inhibitory factor 0.0545 1 1
Loa Loa (eye worm) glutaminase 0.0273 0.4724 0.4724
Echinococcus granulosus snurportin 1 0.0327 0.5767 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0253 0.4318 0.4318
Trichomonas vaginalis conserved hypothetical protein 0.0545 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0283 0.0283
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0007 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0545 1 1
Brugia malayi glutaminase DH11.1 0.0273 0.4724 0.4724
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0283 0.048
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0545 1 0.5
Loa Loa (eye worm) glutaminase 2 0.0273 0.4724 0.4724
Onchocerca volvulus 0.003 0 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0545 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0545 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0283 0.048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0283 0.048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0283 0.048
Schistosoma mansoni hypothetical protein 0.0327 0.5767 1
Onchocerca volvulus 0.003 0 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0545 1 1
Echinococcus multilocularis snurportin 1 0.0327 0.5767 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 3 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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