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

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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