Detailed information for compound 804961

Basic information

Technical information
  • TDR Targets ID: 804961
  • Name: 3-[(2,4-dimethylphenyl)amino]-2-(5-methylpyri din-2-yl)-3H-isoindol-1-one
  • MW: 343.422 | Formula: C22H21N3O
  • H donors: 1 H acceptors: 2 LogP: 4.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(nc1)N1C(=O)c2c(C1Nc1ccc(cc1C)C)cccc2
  • InChi: 1S/C22H21N3O/c1-14-8-10-19(16(3)12-14)24-21-17-6-4-5-7-18(17)22(26)25(21)20-11-9-15(2)13-23-20/h4-13,21,24H,1-3H3
  • InChiKey: SSCJORPAHBQWAJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(2,4-dimethylphenyl)amino]-2-(5-methyl-2-pyridyl)isoindolin-1-one
  • 3-[(2,4-dimethylphenyl)amino]-2-(5-methyl-2-pyridyl)-1-isoindolinone

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
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.0503 0.9665 1
Loa Loa (eye worm) ryanodine receptor 0.0011 0.004 0.1036
Echinococcus multilocularis ryanodine receptor 44f 0.0028 0.0386 0.711
Schistosoma mansoni hypothetical protein 0.0011 0.0049 0.066
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0017 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0386 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0017 0.0169 0.3091
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.052 1 1
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0016 0.0149 0.8775
Echinococcus granulosus ryanodine receptor 44f 0.0028 0.0386 0.711
Chlamydia trachomatis monooxygenase 0.0009 0.0003 0.5
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0017 0.0169 1
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0017 0.0169 0.5
Schistosoma mansoni ryanodine receptor related 0.0045 0.0708 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0016 0.0149 0.8775
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0009 0.0003 0.5
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.0017 0.0169 0.0172
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0017 0.0169 1
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) 0.0017 0.0169 0.0166
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0017 0.0169 0.5
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0017 0.0169 1
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0017 0.0169 0.0166
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0017 0.0169 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0071
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0017 0.0169 0.4387
Loa Loa (eye worm) ryanodine receptor 0.0017 0.016 0.4153
Echinococcus granulosus ryanodine receptor 44f 0.0036 0.0541 1
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0017 0.0169 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0017 0.0169 0.3091
Echinococcus multilocularis ryanodine receptor 44f 0.0036 0.0541 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0045 0.0708 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0017 0.0169 0.2361
Brugia malayi cation channel family protein 0.0019 0.0207 0.0708
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0014 0.0101 0.1393
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0017 0.0169 0.5
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0017 0.0169 1
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0017 0.0169 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.0169 0.0172
Leishmania major hypothetical protein, conserved 0.0011 0.0048 0.2714

Activities

No activities found for this compound.

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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