Detailed information for compound 1759023

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.341 | Formula: C22H12F10N4O
  • H donors: 1 H acceptors: 2 LogP: 7.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC(C(Oc1cccc(c1)Nc1nccn2c1ncc2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F)F
  • InChi: 1S/C22H12F10N4O/c23-19(24)22(31,32)37-15-3-1-2-14(9-15)35-17-18-34-10-16(36(18)5-4-33-17)11-6-12(20(25,26)27)8-13(7-11)21(28,29)30/h1-10,19H,(H,33,35)
  • InChiKey: IOFBBNZNBUQPCQ-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
Echinococcus multilocularis 0.0052 0.1347 0.4402
Echinococcus granulosus lysine specific histone demethylase 1A 0.0111 0.3061 1
Brugia malayi hypothetical protein 0.0052 0.1347 0.2686
Loa Loa (eye worm) hypothetical protein 0.0138 0.3863 0.7474
Chlamydia trachomatis protoporphyrinogen oxidase 0.0052 0.1347 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0052 0.1347 0.4402
Loa Loa (eye worm) hypothetical protein 0.0178 0.5016 0.9706
Onchocerca volvulus CoRest homolog 0.0183 0.5168 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0111 0.3061 1
Brugia malayi SWIRM domain containing protein 0.0117 0.3243 0.6465
Brugia malayi amine oxidase, flavin-containing family protein 0.0132 0.3681 0.7338
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0052 0.1347 0.5
Plasmodium vivax hypothetical protein, conserved 0.0052 0.1347 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0052 0.1347 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0052 0.1347 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0052 0.1347 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0296 0.8471 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.3061 0.5923
Loa Loa (eye worm) hypothetical protein 0.0183 0.5168 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0052 0.1347 0.4402
Leishmania major UDP-galactopyranose mutase 0.0052 0.1347 0.5
Plasmodium vivax hypothetical protein, conserved 0.0052 0.1347 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0052 0.1347 1
Schistosoma mansoni amine oxidase 0.0052 0.1347 0.4402
Loa Loa (eye worm) hypothetical protein 0.0126 0.3499 0.677
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0052 0.1347 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0348 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0052 0.1347 0.4402
Plasmodium falciparum protoporphyrinogen oxidase 0.0052 0.1347 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.3243 0.6275
Brugia malayi Myb-like DNA-binding domain containing protein 0.0178 0.5016 1
Schistosoma mansoni amine oxidase 0.0052 0.1347 0.4402
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0052 0.1347 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1347 0.2607
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0052 0.1347 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0052 0.1347 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.3061 0.5923
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0111 0.3061 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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