Detailed information for compound 1537355

Basic information

Technical information
  • TDR Targets ID: 1537355
  • Name: 3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol -1-one
  • MW: 315.365 | Formula: C21H17NO2
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1C(=O)c2c(C1(O)c1ccccc1)cccc2
  • InChi: 1S/C21H17NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-14,24H,1H3
  • InChiKey: RSLLZVWKCCWWFC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-2-(4-methylphenyl)-3-phenyl-isoindolin-1-one
  • 3-hydroxy-2-(4-methylphenyl)-3-phenyl-1-isoindolinone
  • 3-hydroxy-2-(4-methylphenyl)-3-phenyl-isoindol-1-one
  • 3532-71-6
  • NSC59310
  • Oprea1_783301
  • NCIOpen2_007806

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
Brugia malayi diaphorase 0.0053 0.07 0.07
Onchocerca volvulus 0.0053 0.07 0.5
Echinococcus multilocularis methionine synthase reductase 0.0288 0.5986 0.5986
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0466 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0178 0.3521 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0178 0.3521 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.1208 0.1208
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0178 0.3521 0.2723
Plasmodium vivax hypothetical protein, conserved 0.0178 0.3521 0.3033
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0178 0.3521 0.3033
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0466 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0413 0.8807 0.8717
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0053 0.07 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.1208 0.1208
Schistosoma mansoni diflavin oxidoreductase 0.0231 0.4714 0.4714
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0178 0.3521 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0466 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0288 0.5986 0.5986
Schistosoma mansoni cytochrome P450 reductase 0.0466 1 1
Echinococcus granulosus cytochrome b5 reductase 4 0.0053 0.07 0.07
Echinococcus granulosus cytochrome b5 reductase 4 0.0053 0.07 0.07
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0466 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0466 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.1364 0.1364
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0053 0.07 0.07
Loa Loa (eye worm) diaphorase 0.0053 0.07 0.07
Giardia lamblia Hypothetical protein 0.0413 0.8807 1
Echinococcus granulosus methionine synthase reductase 0.0288 0.5986 0.5986
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0053 0.07 0.07
Echinococcus multilocularis cytochrome b5 reductase 4 0.0053 0.07 0.07
Toxoplasma gondii flavodoxin domain-containing protein 0.0231 0.4714 1
Mycobacterium tuberculosis Possible oxygenase 0.0053 0.07 0.5
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0178 0.3521 0.3033
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0053 0.07 0.07
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0178 0.3521 0.2723
Schistosoma mansoni cytochrome B5 0.0053 0.07 0.07
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0466 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.07 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0231 0.4714 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0288 0.5986 0.5986
Trichomonas vaginalis sulfite reductase, putative 0.0466 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0178 0.3521 0.2723
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0053 0.07 0.5
Mycobacterium tuberculosis Probable monooxygenase 0.0053 0.07 0.5
Treponema pallidum flavodoxin 0.0178 0.3521 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0466 1 1
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0053 0.07 0.07
Brugia malayi flavodoxin family protein 0.0178 0.3521 0.3521
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0466 1 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0178 0.3521 0.3033
Giardia lamblia Nitric oxide synthase, inducible 0.0413 0.8807 1
Chlamydia trachomatis sulfite reductase 0.0288 0.5986 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0235 0.4793 0.4793
Loa Loa (eye worm) FAD binding domain-containing protein 0.0466 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0178 0.3521 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0466 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0466 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0178 0.3521 0.5
Brugia malayi FAD binding domain containing protein 0.0466 1 1
Leishmania major hypothetical protein, conserved 0.0178 0.3521 0.3033
Leishmania major cytochrome P450 reductase, putative 0.0413 0.8807 0.8717
Leishmania major p450 reductase, putative 0.0466 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.1208 0.1208
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0053 0.07 0.07
Brugia malayi FAD binding domain containing protein 0.0288 0.5986 0.5986
Loa Loa (eye worm) hypothetical protein 0.0066 0.0984 0.0984
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0466 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0413 0.8807 0.866
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0466 1 1
Trypanosoma cruzi p450 reductase, putative 0.0466 1 1
Loa Loa (eye worm) flavodoxin family protein 0.0178 0.3521 0.3521
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0466 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.1208 0.1208
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0178 0.3521 0.3033
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0178 0.3521 0.3033
Loa Loa (eye worm) hypothetical protein 0.0466 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0466 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0466 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0178 0.3521 0.2723
Entamoeba histolytica type A flavoprotein, putative 0.0178 0.3521 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.1364 0.1364

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): 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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