Detailed information for compound 804967

Basic information

Technical information
  • TDR Targets ID: 804967
  • Name: 3-[(2-chloro-4-methylphenyl)amino]-2-(5-methy lpyridin-2-yl)-3H-isoindol-1-one
  • MW: 363.84 | Formula: C21H18ClN3O
  • H donors: 1 H acceptors: 2 LogP: 4.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(nc1)N1C(=O)c2c(C1Nc1ccc(cc1Cl)C)cccc2
  • InChi: 1S/C21H18ClN3O/c1-13-7-9-18(17(22)11-13)24-20-15-5-3-4-6-16(15)21(26)25(20)19-10-8-14(2)12-23-19/h3-12,20,24H,1-2H3
  • InChiKey: JQIIRGRLDISNIS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(2-chloro-4-methyl-phenyl)amino]-2-(5-methyl-2-pyridyl)isoindolin-1-one
  • 3-[(2-chloro-4-methylphenyl)amino]-2-(5-methyl-2-pyridyl)-1-isoindolinone
  • 3-[(2-chloro-4-methyl-phenyl)amino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one

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 cathepsin l cysteine peptidase 0.0109 0.0358 0.0322
Echinococcus granulosus cathepsin l1 0.0109 0.0358 0.0322
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0306 0.2918 0.4148
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0242 0.2089 0.2884
Loa Loa (eye worm) cysteine protease 0.0109 0.0358 0.0458
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0283 0.2622 0.3667
Brugia malayi prolyl oligopeptidase family protein 0.0283 0.2622 0.3677
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Onchocerca volvulus 0.0109 0.0358 0.0418
Loa Loa (eye worm) matrixin family protein 0.0489 0.5278 0.749
Plasmodium vivax hypothetical protein, conserved 0.0242 0.2089 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.2082 0.2922
Echinococcus multilocularis cathepsin L cysteine protease 0.0109 0.0358 0.0322
Brugia malayi cathepsin Z-like cysteine proteinase 0.0232 0.1953 0.272
Echinococcus granulosus disintegrin and metalloproteinase 0.0119 0.0487 0.0451
Trypanosoma brucei Metacaspase-4 0.0242 0.2089 0.7807
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Brugia malayi Angiotensin-converting enzyme family protein 0.0607 0.6804 0.967
Echinococcus granulosus apoptotic protease activating factor 1 0.0242 0.2082 0.2052
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0085 0.0055 0.0017
Toxoplasma gondii PAN domain-containing protein 0.0591 0.6605 1
Brugia malayi Matrixin family protein 0.0601 0.6728 0.9561
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0217 0.1757 0.2498
Loa Loa (eye worm) hypothetical protein 0.0154 0.0946 0.1298
Loa Loa (eye worm) hypothetical protein 0.0208 0.1644 0.2296
Onchocerca volvulus 0.0109 0.0358 0.0418
Loa Loa (eye worm) hypothetical protein 0.0109 0.0358 0.0458
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0232 0.1953 0.9216
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Giardia lamblia Cathepsin B precursor 0.0232 0.1953 1
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Echinococcus multilocularis cysteine protease 0.0109 0.0358 0.0322
Brugia malayi Matrixin family protein 0.0236 0.2006 0.2795
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0467 0.5 0.7108
Loa Loa (eye worm) matrixin family protein 0.0601 0.6728 0.9562
Brugia malayi Hemopexin family protein 0.0294 0.2761 0.3877
Onchocerca volvulus Cathepsin F homolog 0.0109 0.0358 0.0418
Mycobacterium ulcerans hydrolase 0.0253 0.2223 0.5
Plasmodium vivax vivapain-2 0.0109 0.0358 0.0545
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0283 0.2622 0.2594
Echinococcus multilocularis caspase 3 0.0142 0.0793 0.0758
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0283 0.2622 0.3727
Toxoplasma gondii aspartyl protease ASP1 0.0208 0.1644 0.2183
Mycobacterium leprae PROBABLE HYDROLASE 0.0253 0.2223 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0146 0.0841 0.2789
Plasmodium falciparum metacaspase-like protein 0.0242 0.2089 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0385 0.3931 0.3908
Schistosoma mansoni cathepsin D (A01 family) 0.058 0.6464 0.9189
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0208 0.1644 0.1612
Echinococcus multilocularis disintegrin and metalloproteinase 0.0119 0.0487 0.0451
Echinococcus multilocularis cysteine protease 0.0109 0.0358 0.0322
Echinococcus granulosus cathepsin b 0.0161 0.103 0.0996
Echinococcus multilocularis cathepsin b 0.0161 0.103 0.0996
Plasmodium vivax plasmepsin IV, putative 0.0208 0.1644 0.7569
Loa Loa (eye worm) hypothetical protein 0.0131 0.0643 0.0865
Toxoplasma gondii PAN domain-containing protein 0.0591 0.6605 1
Echinococcus multilocularis caspase 8 0.0242 0.2089 0.2059
Brugia malayi Matrixin family protein 0.0236 0.2006 0.2795
Echinococcus multilocularis adam 0.0127 0.0601 0.0566
Loa Loa (eye worm) hypothetical protein 0.0161 0.103 0.1418
Plasmodium vivax metacaspase 1, putative 0.0242 0.2089 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.2223 0.3124
Toxoplasma gondii cathepsin CPC1 0.0217 0.1757 0.2361
Brugia malayi Disintegrin family protein 0.0119 0.0487 0.0619
Brugia malayi cathepsin B-like cysteine proteinase 0.0161 0.103 0.1396
Onchocerca volvulus Cell death protein 3 homolog 0.0624 0.7034 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0208 0.1644 0.2183
Loa Loa (eye worm) hypothetical protein 0.0149 0.0883 0.1208
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0242 0.2089 0.2884
Entamoeba histolytica cysteine proteinase, putative 0.0109 0.0358 0.5
Trypanosoma cruzi metacaspase, putative 0.0242 0.2089 0.7807
Echinococcus granulosus cathepsin L cysteine proteinase 0.0109 0.0358 0.0322
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Onchocerca volvulus 0.0109 0.0358 0.0418
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.028 0.2575 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0385 0.3931 0.3908
Onchocerca volvulus Cathepsin L homolog 0.0109 0.0358 0.0418
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0085 0.0055 0.0078
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0109 0.0358 0.0545
Onchocerca volvulus Matrilysin homolog 0.0236 0.2006 0.2783
Echinococcus granulosus adam 0.0127 0.0601 0.0566
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.028 0.2575 0.3661
Onchocerca volvulus 0.0109 0.0358 0.0418
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0607 0.6804 0.9671
Plasmodium vivax vivapain-2 0.0109 0.0358 0.0545
Loa Loa (eye worm) matrix metalloproteinase 0.0236 0.2006 0.2813
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0217 0.1757 0.8843
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0109 0.0358 0.0545
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0084 0.0038 0.0054
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0084 0.0038 0.0054
Toxoplasma gondii preprocathepsin c precursor, putative 0.0217 0.1757 0.2361
Trypanosoma brucei metacaspase MCA2 0.0242 0.2089 0.7807
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0186 0.1363 0.1331
Brugia malayi Matrixin family protein 0.0236 0.2006 0.2795
Schistosoma mansoni hypothetical protein 0.0294 0.2761 0.3925
Trypanosoma cruzi metacaspase, putative 0.0242 0.2089 0.7807
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0085 0.0055 0.0017
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.103 0.1464
Brugia malayi Cell death protein 3 precursor 0.0624 0.7034 1
Brugia malayi hypothetical protein 0.0131 0.0643 0.0842
Plasmodium falciparum plasmepsin II 0.0208 0.1644 0.7569
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0181 0.1289 0.1833
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.028 0.2575 1
Loa Loa (eye worm) hypothetical protein 0.0306 0.2918 0.4117
Loa Loa (eye worm) hypothetical protein 0.0236 0.2006 0.2813
Trypanosoma cruzi metacaspase, putative 0.0242 0.2089 0.7807
Onchocerca volvulus 0.0154 0.0946 0.1262
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Schistosoma mansoni dihydroceramide desaturase 0.0119 0.0487 0.0693
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0109 0.0358 0.0322
Plasmodium vivax aspartyl proteinase, putative 0.0208 0.1644 0.7569
Plasmodium falciparum metacaspase 1 0.0242 0.2089 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.028 0.2575 0.2547
Schistosoma mansoni caspase-7 (C14 family) 0.0385 0.3931 0.5589
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.103 0.1464
Entamoeba histolytica cysteine proteinase, putative 0.0109 0.0358 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0242 0.2089 0.7807
Loa Loa (eye worm) hypothetical protein 0.0242 0.2089 0.2932
Echinococcus multilocularis cathepsin b 0.0161 0.103 0.0996
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0154 0.0946 0.1345
Plasmodium falciparum cysteine proteinase falcipain 3 0.0109 0.0358 0.0545
Onchocerca volvulus Matrix metalloproteinase homolog 0.0489 0.5278 0.748
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0207 0.163 0.216
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Schistosoma mansoni caspase-7 (C14 family) 0.0624 0.7034 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0186 0.1363 0.1331
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0217 0.1757 0.8187
Brugia malayi hypothetical protein 0.0127 0.0601 0.0782
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0232 0.1953 0.9216
Brugia malayi Trypsin family protein 0.0154 0.0946 0.1277
Schistosoma mansoni caspase-3 (C14 family) 0.0385 0.3931 0.5589
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0171 0.1165 0.1428
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0253 0.2223 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Echinococcus multilocularis caspase 2 0.0624 0.7034 0.7023
Schistosoma mansoni hypothetical protein 0.0242 0.2082 0.296
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0208 0.1644 0.2337
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0208 0.1644 0.1612
Echinococcus granulosus caspase 2 0.0624 0.7034 0.7023
Toxoplasma gondii cathepsin CPL 0.0109 0.0358 0.0157
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.028 0.2575 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0161 0.103 0.3029
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.2089 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0217 0.1757 0.8187
Echinococcus multilocularis apoptotic protease activating factor 1 0.0242 0.2082 0.2052
Brugia malayi Papain family cysteine protease containing protein 0.0109 0.0358 0.0434
Echinococcus granulosus adam 17 protease 0.0239 0.2047 0.2017
Loa Loa (eye worm) hypothetical protein 0.0236 0.2006 0.2813
Loa Loa (eye worm) prolyl oligopeptidase 0.0283 0.2622 0.3693
Echinococcus granulosus caspase 8 0.0242 0.2089 0.2059
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0127 0.0601 0.0855
Echinococcus granulosus cathepsin b 0.0161 0.103 0.0996
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Trypanosoma cruzi metacaspase 5, putative 0.0242 0.2089 0.7807
Onchocerca volvulus 0.0109 0.0358 0.0418
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Echinococcus granulosus caspase 0.0385 0.3931 0.3908
Trypanosoma brucei metacaspase 5, putative 0.0242 0.2089 0.7807
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0154 0.0946 0.1345
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Loa Loa (eye worm) hypothetical protein 0.0624 0.7034 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Leishmania major metacaspase, putative 0.0242 0.2089 0.7807
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0217 0.1757 0.8187
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0109 0.0358 0.0322
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.103 0.1464
Loa Loa (eye worm) fibroinase 0.0109 0.0358 0.0458
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0853 1 1
Onchocerca volvulus 0.0242 0.2082 0.2892
Echinococcus granulosus caspase 3 0.0142 0.0793 0.0758
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Plasmodium falciparum plasmepsin IV 0.0208 0.1644 0.7569
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0217 0.1757 0.8187
Onchocerca volvulus Matrilysin homolog 0.0559 0.619 0.8789
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0208 0.1644 0.2296
Trypanosoma cruzi metacaspase, putative 0.0242 0.2089 0.7807
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0208 0.1644 0.7429
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0242 0.2089 0.297
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0283 0.2622 0.2594
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0242 0.2089 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0253 0.2223 0.3107
Brugia malayi Cathepsin L-like precursor 0.0109 0.0358 0.0434
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0232 0.1953 0.2738
Onchocerca volvulus 0.0236 0.2006 0.2783
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0109 0.0358 0.0458
Brugia malayi prolyl oligopeptidase family protein 0.028 0.2575 0.361
Entamoeba histolytica cysteine protease, putative 0.0109 0.0358 0.5
Onchocerca volvulus Cathepsin L homolog 0.0109 0.0358 0.0418
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.028 0.2575 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0109 0.0358 0.0458
Plasmodium falciparum plasmepsin I 0.0208 0.1644 0.7569
Loa Loa (eye worm) hypothetical protein 0.0452 0.481 0.682
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0232 0.1953 0.9216
Loa Loa (eye worm) hypothetical protein 0.0154 0.0946 0.1298
Trypanosoma brucei metacaspase MCA3 0.0242 0.2089 0.7807
Trypanosoma brucei metacaspase 0.0242 0.2089 0.7807
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.028 0.2575 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0161 0.103 0.1464
Schistosoma mansoni cathepsin F (C01 family) 0.0109 0.0358 0.0509
Onchocerca volvulus 0.0109 0.0358 0.0418
Echinococcus multilocularis caspase 0.0385 0.3931 0.3908
Brugia malayi cathepsin Z-like cysteine proteinase 0.0232 0.1953 0.272
Plasmodium falciparum plasmepsin VI 0.0208 0.1644 0.7569
Brugia malayi hypothetical protein 0.0242 0.2082 0.2904
Echinococcus multilocularis cathepsin L cysteine protease 0.0109 0.0358 0.0322
Onchocerca volvulus 0.0109 0.0358 0.0418
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0242 0.2089 0.2914
Schistosoma mansoni cathepsin D (A01 family) 0.058 0.6464 0.9189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0232 0.1953 0.9216
Loa Loa (eye worm) ctsf protein 0.0109 0.0358 0.0458
Onchocerca volvulus 0.0294 0.2761 0.3866
Echinococcus multilocularis adam 17 protease 0.0181 0.1289 0.1256
Schistosoma mansoni cathepsin F (C01 family) 0.0109 0.0358 0.0509
Echinococcus multilocularis Dipeptidyl peptidase 9 0.028 0.2575 0.2547
Brugia malayi Matrixin family protein 0.0236 0.2006 0.2795
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0242 0.2089 0.2884

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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