Detailed information for compound 1528598

Basic information

Technical information
  • TDR Targets ID: 1528598
  • Name: 2,4-diaminofluoren-9-one
  • MW: 210.231 | Formula: C13H10N2O
  • H donors: 2 H acceptors: 1 LogP: 1.7 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc(N)c2c(c1)C(=O)c1c2cccc1
  • InChi: 1S/C13H10N2O/c14-7-5-10-12(11(15)6-7)8-3-1-2-4-9(8)13(10)16/h1-6H,14-15H2
  • InChiKey: WMNBHWWCHOVGHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-diamino-9-fluorenone
  • 6638-62-6
  • NSC48267

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
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0647 0.0647
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0287 0.3033 0.3033
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0751 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0751 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0464 0.5684 0.5684
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0666 0.8717 0.8668
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0287 0.3033 0.2767
Giardia lamblia Hypothetical protein 0.0666 0.8717 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0085 0 0.5
Brugia malayi FAD binding domain containing protein 0.0751 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0751 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0751 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 0.6255 0.6255
Entamoeba histolytica type A flavoprotein, putative 0.0287 0.3033 0.5
Loa Loa (eye worm) hypothetical protein 0.0751 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0751 1 1
Trypanosoma cruzi p450 reductase, putative 0.0751 1 1
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0085 0 0.5
Loa Loa (eye worm) flavodoxin family protein 0.0287 0.3033 0.3033
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0287 0.3033 0.2767
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0287 0.3033 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0751 1 1
Loa Loa (eye worm) hypothetical protein 0.0365 0.4196 0.4196
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0751 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0751 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0287 0.3033 0.5
Schistosoma mansoni diflavin oxidoreductase 0.0373 0.4316 0.4316
Plasmodium vivax hypothetical protein, conserved 0.0287 0.3033 0.3033
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.0485 0.0485
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.0485 0.0485
Loa Loa (eye worm) FAD binding domain-containing protein 0.0751 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0751 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.0485 0.0485
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0085 0 0.5
Leishmania major p450 reductase, putative 0.0751 1 1
Loa Loa (eye worm) hypothetical protein 0.0365 0.4196 0.4196
Chlamydia trachomatis sulfite reductase 0.0464 0.5684 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0751 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0751 1 1
Schistosoma mansoni amine GPCR 0.0406 0.4814 0.4814
Leishmania major cytochrome P450 reductase, putative 0.0666 0.8717 0.8717
Giardia lamblia Nitric oxide synthase, inducible 0.0666 0.8717 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0287 0.3033 0.3033
Entamoeba histolytica type A flavoprotein, putative 0.0287 0.3033 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0287 0.3033 0.5
Brugia malayi flavodoxin family protein 0.0287 0.3033 0.3033
Loa Loa (eye worm) hypothetical protein 0.0502 0.6255 0.6255
Trichomonas vaginalis sulfite reductase, putative 0.0751 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0464 0.5684 0.5684
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0287 0.3033 0.3033
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0287 0.3033 0.2767
Mycobacterium tuberculosis Possible oxygenase 0.0085 0 0.5
Leishmania major hypothetical protein, conserved 0.0287 0.3033 0.3033
Mycobacterium tuberculosis Probable monooxygenase 0.0085 0 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.0485 0.0485
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0365 0.4196 0.4196
Loa Loa (eye worm) hypothetical protein 0.0102 0.0251 0.0251
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.0647 0.0647
Plasmodium vivax flavodoxin domain containing protein 0.0666 0.8717 0.8717
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0365 0.4196 0.4196
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0287 0.3033 0.3033
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0751 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0751 1 1
Brugia malayi FAD binding domain containing protein 0.0464 0.5684 0.5684
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0287 0.3033 0.3033
Toxoplasma gondii flavodoxin domain-containing protein 0.0373 0.4316 1
Echinococcus granulosus methionine synthase reductase 0.0464 0.5684 0.5684
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0751 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0287 0.3033 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0751 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0378 0.4402 0.4402
Treponema pallidum flavodoxin 0.0287 0.3033 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0373 0.4316 1
Echinococcus multilocularis methionine synthase reductase 0.0464 0.5684 0.5684
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0751 1 1
Onchocerca volvulus 0.0085 0 0.5
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0287 0.3033 0.2767

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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