Detailed information for compound 1402850

Basic information

Technical information
  • TDR Targets ID: 1402850
  • Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ni troisoindole-1,3-dione
  • MW: 301.254 | Formula: C14H11N3O5
  • H donors: 0 H acceptors: 5 LogP: 1.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C
  • InChi: 1S/C14H11N3O5/c1-7-10(8(2)22-15-7)6-16-13(18)9-4-3-5-11(17(20)21)12(9)14(16)19/h3-5H,6H2,1-2H3
  • InChiKey: YFINXVONRHOONT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-nitro-isoindoline-1,3-dione
  • 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-nitroisoindoline-1,3-dione
  • 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-nitro-isoindoline-1,3-quinone
  • 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitro-isoindole-1,3-dione
  • ZINC06787740
  • T5376162

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.1471 0.2606
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0102 0.26 0.26
Loa Loa (eye worm) ctsf protein 0.0102 0.26 0.26
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0112 0.2966 1
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Onchocerca volvulus 0.0102 0.26 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0537 0.2065
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0537 0.0537
Echinococcus multilocularis cathepsin L cysteine protease 0.0102 0.26 0.2162
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0057 0.0945 0.0945
Entamoeba histolytica cysteine proteinase, putative 0.0071 0.1471 0.3182
Plasmodium vivax glutathione reductase, putative 0.0046 0.0537 0.2065
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0102 0.26 0.2162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3094 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.5448 0.5178
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Echinococcus multilocularis cathepsin L cysteine protease 0.0102 0.26 0.2162
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.267 0.8342
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0057 0.0945 0.0945
Giardia lamblia Cathepsin B precursor 0.0112 0.2966 0.5
Giardia lamblia Cathepsin B precursor 0.0112 0.2966 0.5
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Trypanosoma cruzi cysteine peptidase, putative 0.0057 0.0945 0.0945
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.267 0.8342
Mycobacterium tuberculosis Probable reductase 0.0104 0.267 0.8342
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Onchocerca volvulus Cathepsin F homolog 0.0102 0.26 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0102 0.26 0.2162
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0057 0.0945 0.0945
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.26 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0102 0.26 0.2162
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3094 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0057 0.0945 0.0945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0102 0.26 0.2162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.26 0.26
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.267 0.8342
Trypanosoma cruzi cysteine proteinase, putative 0.0057 0.0945 0.0945
Echinococcus granulosus cathepsin L 0.0057 0.0945 0.0409
Brugia malayi Cathepsin L-like cysteine proteinase 0.0071 0.1471 0.1471
Echinococcus granulosus cathepsin l1 0.0102 0.26 0.2162
Toxoplasma gondii cathepsin B 0.0112 0.2966 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0112 0.2966 0.2966
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Onchocerca volvulus 0.0102 0.26 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Echinococcus granulosus cysteine protease 0.0057 0.0945 0.0409
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.2966 1
Brugia malayi cathepsin L-like precursor 0.0071 0.1471 0.1471
Onchocerca volvulus 0.0102 0.26 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.1471 0.2606
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Brugia malayi Thioredoxin reductase 0.0046 0.0537 0.0537
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.26 0.26
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Echinococcus multilocularis muscleblind protein 0.018 0.5448 0.5178
Onchocerca volvulus 0.0102 0.26 1
Loa Loa (eye worm) hypothetical protein 0.018 0.5448 0.5448
Plasmodium vivax vivapain-2 0.0102 0.26 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.0945 0.168
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Schistosoma mansoni cathepsin F (C01 family) 0.0102 0.26 0.26
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.0945 0.168
Plasmodium vivax vivapain-2 0.0102 0.26 1
Onchocerca volvulus 0.0102 0.26 1
Brugia malayi glutathione reductase 0.0046 0.0537 0.0537
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3094 1
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.26 0.26
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Loa Loa (eye worm) glutathione reductase 0.0046 0.0537 0.0537
Echinococcus multilocularis cysteine protease 0.0102 0.26 0.2162
Loa Loa (eye worm) hypothetical protein 0.0071 0.1471 0.1471
Loa Loa (eye worm) hypothetical protein 0.0102 0.26 0.26
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0102 0.26 1
Brugia malayi Papain family cysteine protease containing protein 0.0057 0.0945 0.0945
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Toxoplasma gondii cathepsin CPL 0.0102 0.26 0.8493
Echinococcus multilocularis cysteine protease 0.0102 0.26 0.2162
Trypanosoma cruzi cruzipain precursor, putative 0.0102 0.26 0.26
Echinococcus granulosus cathepsin L cysteine protease 0.0057 0.0945 0.0409
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Loa Loa (eye worm) hypothetical protein 0.0071 0.1471 0.1471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Plasmodium vivax vivapain-3 0.0057 0.0945 0.3634
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.26 0.26
Brugia malayi Cathepsin L-like precursor 0.0071 0.1471 0.1471
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.2966 0.2966
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189
Plasmodium falciparum cysteine proteinase falcipain 3 0.0102 0.26 1
Plasmodium vivax unspecified product 0.0057 0.0945 0.3634
Echinococcus granulosus cathepsin l1 0.0071 0.1471 0.0966
Onchocerca volvulus 0.0102 0.26 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.267 0.8342
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0102 0.26 1
Loa Loa (eye worm) cysteine protease 0.0102 0.26 0.26
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.267 0.8342
Loa Loa (eye worm) fibroinase 0.0102 0.26 0.26
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.26 1
Plasmodium vivax vivapain-1 0.0057 0.0945 0.3634
Onchocerca volvulus Cathepsin L homolog 0.0102 0.26 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1471 0.1471
Entamoeba histolytica cysteine protease, putative 0.0102 0.26 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.26 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Loa Loa (eye worm) cathepsin B 0.0112 0.2966 0.2966
Brugia malayi Muscleblind-like protein 0.018 0.5448 0.5448
Echinococcus granulosus muscleblind protein 0.018 0.5448 0.5178
Onchocerca volvulus 0.0102 0.26 1
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0071 0.1471 0.1471
Giardia lamblia Cathepsin B precursor 0.0112 0.2966 0.5
Leishmania major cysteine peptidase A (CPA) 0.0102 0.26 0.8493
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3094 1
Brugia malayi Cathepsin L-like precursor 0.0071 0.1471 0.1471
Plasmodium falciparum cysteine proteinase falcipain 1 0.0057 0.0945 0.1978
Trypanosoma cruzi cysteine proteinase, putative 0.0057 0.0945 0.0945
Trypanosoma cruzi cysteine protease, putative 0.0057 0.0945 0.0945
Onchocerca volvulus Cathepsin L homolog 0.0102 0.26 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0102 0.26 0.26
Schistosoma mansoni cathepsin F (C01 family) 0.0102 0.26 0.26
Loa Loa (eye worm) hypothetical protein 0.018 0.5448 0.5448
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0537 0.0537
Brugia malayi Papain family cysteine protease containing protein 0.0057 0.0945 0.0945
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Brugia malayi Cathepsin L-like precursor 0.0102 0.26 0.26
Trypanosoma brucei cysteine peptidase C (CPC) 0.0112 0.2966 1
Leishmania major cathepsin L-like protease 0.0102 0.26 0.8493
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.26 0.26
Schistosoma mansoni cathepsin F (C01 family) 0.0071 0.1471 0.1471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0102 0.26 0.8493
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0102 0.26 0.8189
Echinococcus multilocularis cathepsin L 0.0057 0.0945 0.0409
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0102 0.26 0.8189

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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