Detailed information for compound 228365

Basic information

Technical information
  • TDR Targets ID: 228365
  • Name: 4-nitro-2-[(2,4,5,7-tetranitrofluoren-9-ylide ne)methyl]phenol
  • MW: 495.312 | Formula: C20H9N5O11
  • H donors: 1 H acceptors: 11 LogP: 3.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc(cc1C=C1c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
  • InChi: 1S/C20H9N5O11/c26-18-2-1-10(21(27)28)3-9(18)4-13-14-5-11(22(29)30)7-16(24(33)34)19(14)20-15(13)6-12(23(31)32)8-17(20)25(35)36/h1-8,26H
  • InChiKey: QGPCKPZYOUWFEZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-nitro-2-[(2,4,5,7-tetranitro-9-fluorenylidene)methyl]phenol

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 granulosus matrix metallopeptidase 7 M10 family 0.0061 0.4332 0.389
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0034 0.1404 0.1279
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0034 0.1404 0.1279
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 0.0723 0.0588
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 0.0723 1
Brugia malayi hypothetical protein 0.0034 0.1404 0.1404
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 0.0723 0.46
Brugia malayi flavodoxin family protein 0.0027 0.0723 0.0723
Trypanosoma brucei Aminopeptidase M1, putative 0.0034 0.1404 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0034 0.1404 0.0734
Trypanosoma cruzi p450 reductase, putative 0.0027 0.0723 0.46
Mycobacterium ulcerans aminopeptidase N PepN 0.0034 0.1404 1
Loa Loa (eye worm) matrixin family protein 0.0041 0.215 0.246
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0034 0.1404 0.0734
Loa Loa (eye worm) peptidase family M1 containing protein 0.0093 0.7675 0.8782
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 0.0723 0.3266
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0034 0.1404 1
Brugia malayi Peptidase family M1 containing protein 0.0034 0.1404 0.1404
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.0393 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0034 0.1404 0.6533
Plasmodium falciparum nitric oxide synthase, putative 0.0027 0.0723 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 0.0723 0.0588
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0034 0.1404 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0034 0.1404 1
Echinococcus multilocularis aminopeptidase N 0.0115 1 1
Giardia lamblia Hypothetical protein 0.0024 0.0393 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.8739 1
Echinococcus granulosus aminopeptidase N 0.0115 1 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0061 0.4332 0.425
Trichomonas vaginalis sulfite reductase, putative 0.0027 0.0723 0.3266
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0034 0.1404 0.1279
Brugia malayi Matrixin family protein 0.0041 0.215 0.215
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0723 0.46
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0034 0.1404 0.1279
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0034 0.1404 0.0734
Trypanosoma cruzi Aminopeptidase M1, putative 0.0034 0.1404 1
Loa Loa (eye worm) aminopeptidase N 0.0034 0.1404 0.1606
Onchocerca volvulus Matrilysin homolog 0.0037 0.1792 0.1487
Onchocerca volvulus Matrix metalloproteinase homolog 0.0037 0.1792 0.1487
Brugia malayi Hemopexin family protein 0.0024 0.0358 0.0358
Trypanosoma cruzi aminopeptidase, putative 0.0034 0.1404 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0034 0.1404 1
Leishmania major p450 reductase, putative 0.0027 0.0723 0.3266
Schistosoma mansoni cytochrome P450 reductase 0.0027 0.0723 0.3005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0143 0.0164
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0034 0.1404 0.1279
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0723 0.46
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.004 0.2073 1
Entamoeba histolytica aminopeptidase, putative 0.0034 0.1404 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 0.0723 0.515
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0034 0.1404 0.6533
Onchocerca volvulus 0.0115 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0723 0.0827
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0034 0.1404 0.1279
Trypanosoma brucei Aminopeptidase M1, putative 0.0034 0.1404 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0034 0.1404 0.0734
Onchocerca volvulus 0.0034 0.1404 0.1084
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0021 0 0.5
Brugia malayi FAD binding domain containing protein 0.0027 0.0723 0.0723
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0034 0.1404 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.6414 0.7339
Mycobacterium leprae PROBABLE HYDROLASE 0.0021 0 0.5
Loa Loa (eye worm) matrixin family protein 0.0037 0.1792 0.205
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0034 0.1404 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 0.0723 0.0827
Loa Loa (eye worm) hypothetical protein 0.0022 0.0143 0.0164
Schistosoma mansoni hypothetical protein 0.0024 0.0358 0.1115

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 uM In vitro inhibition of Farnesyltransferase (FT) by using FT [3H]-SPA kit. ChEMBL. 10669567
IC50 (binding) = 100 uM In vitro inhibition of Farnesyltransferase (FT) by using FT [3H]-SPA kit. ChEMBL. 10669567

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

1 literature reference was collected for this gene.

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