Detailed information for compound 1410239

Basic information

Technical information
  • TDR Targets ID: 1410239
  • Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoeth yl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-ca rboxylate
  • MW: 373.36 | Formula: C18H19N3O6
  • H donors: 1 H acceptors: 4 LogP: 0.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CC(CC1=O)C(=O)OCC(=O)Nc1noc(c1)C
  • InChi: 1S/C18H19N3O6/c1-11-7-15(20-27-11)19-16(22)10-26-18(24)12-8-17(23)21(9-12)13-5-3-4-6-14(13)25-2/h3-7,12H,8-10H2,1-2H3,(H,19,20,22)
  • InChiKey: MQOZYHOXICGUKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
  • 1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
  • 5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester
  • [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-ethyl] 1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
  • T5349356

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) peptidase family M1 containing protein 0.0219 0.2195 0.2195
Loa Loa (eye worm) cysteine protease 0.0553 0.7519 0.7519
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.011 0.0449 0.0031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0416 0.5337 0.6927
Echinococcus granulosus cathepsin L 0.0289 0.3315 0.4079
Brugia malayi Papain family cysteine protease containing protein 0.011 0.0449 0.0031
Echinococcus multilocularis cysteine protease 0.0553 0.7519 1
Echinococcus granulosus cathepsin b 0.0416 0.5337 0.6927
Trypanosoma cruzi cysteine peptidase, putative 0.0553 0.7519 1
Onchocerca volvulus 0.0553 0.7519 1
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.3315 0.4054
Plasmodium vivax vivapain-3 0.0289 0.3315 0.4054
Onchocerca volvulus 0.0271 0.302 0.3636
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Brugia malayi Cathepsin L-like precursor 0.0373 0.4653 0.4419
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Echinococcus granulosus cathepsin L 0.011 0.0449 0.0042
Echinococcus granulosus cathepsin b 0.0416 0.5337 0.6927
Trypanosoma cruzi cruzipain precursor, putative 0.0553 0.7519 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0289 0.3315 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.3315 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0416 0.5337 0.6927
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.011 0.0449 0.0042
Trichomonas vaginalis glutaminase, putative 0.033 0.3965 0.4973
Giardia lamblia Cathepsin B precursor 0.0205 0.1961 1
Schistosoma mansoni cathepsin s 0.018 0.1564 0.1612
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Toxoplasma gondii cathepsin B 0.0205 0.1961 0.2171
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Brugia malayi cathepsin L-like cysteine proteinase 0.011 0.0449 0.0031
Entamoeba histolytica cysteine proteinase, putative 0.0553 0.7519 1
Loa Loa (eye worm) glutaminase 2 0.033 0.3965 0.3965
Echinococcus granulosus cysteine protease 0.0289 0.3315 0.4079
Plasmodium vivax vivapain-1 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0419 0.0419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Onchocerca volvulus 0.0553 0.7519 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.011 0.0449 0.0449
Leishmania major cysteine peptidase A (CPA) 0.0553 0.7519 1
Onchocerca volvulus 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Echinococcus multilocularis cathepsin b 0.0416 0.5337 0.6927
Onchocerca volvulus Cathepsin L homolog 0.0553 0.7519 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.011 0.0449 0.0042
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Trypanosoma cruzi cysteine peptidase, putative 0.0553 0.7519 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0416 0.5337 0.6914
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0205 0.1961 0.2138
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.011 0.0449 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Loa Loa (eye worm) fibroinase 0.0553 0.7519 0.7519
Onchocerca volvulus 0.0553 0.7519 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.3315 0.4079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Toxoplasma gondii cathepsin CPC1 0.011 0.0449 0.0042
Echinococcus granulosus cathepsin l1 0.0373 0.4653 0.5963
Mycobacterium ulcerans glutaminase 0.033 0.3965 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0553 0.7519 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.011 0.0449 0.0042
Echinococcus multilocularis cathepsin L cysteine protease 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.4653 0.4653
Brugia malayi cathepsin L precursor 0.011 0.0449 0.0031
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Toxoplasma gondii preprocathepsin c precursor, putative 0.011 0.0449 0.0042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Plasmodium vivax unspecified product 0.0289 0.3315 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0553 0.7519 1
Schistosoma mansoni cathepsin B (C01 family) 0.011 0.0449 0.0042
Echinococcus granulosus cathepsin l cysteine peptidase 0.0553 0.7519 1
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.011 0.0449 0.0031
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0419 0.0419
Trypanosoma cruzi cysteine proteinase, putative 0.0289 0.3315 0.4054
Schistosoma mansoni hypothetical protein 0.0205 0.1963 0.2174
Brugia malayi cathepsin B-like cysteine proteinase 0.0416 0.5337 0.5133
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Schistosoma mansoni cathepsin C 0.011 0.0449 0.0042
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.3315 0.4054
Loa Loa (eye worm) hypothetical protein 0.0191 0.1748 0.1748
Entamoeba histolytica cysteine proteinase 2 0.0289 0.3315 0.4054
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Loa Loa (eye worm) ctsf protein 0.0553 0.7519 0.7519
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.3315 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.3315 0.4079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.011 0.0449 0.0042
Toxoplasma gondii cathepsin CPC2 0.011 0.0449 0.0042
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0553 0.7519 0.7519
Brugia malayi cathepsin F-like cysteine proteinase 0.011 0.0449 0.0031
Brugia malayi Papain family cysteine protease containing protein 0.0553 0.7519 0.7411
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Plasmodium vivax vivapain-2 0.0553 0.7519 1
Onchocerca volvulus 0.0553 0.7519 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0553 0.7519 1
Toxoplasma gondii cathepsin CPL 0.0553 0.7519 1
Schistosoma mansoni cathepsin S (C01 family) 0.011 0.0449 0.0042
Loa Loa (eye worm) glutaminase 0.033 0.3965 0.3965
Loa Loa (eye worm) hypothetical protein 0.0373 0.4653 0.4653
Brugia malayi Papain family cysteine protease containing protein 0.011 0.0449 0.0031
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0708 1 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.4653 0.4653
Plasmodium falciparum cysteine proteinase falcipain 1 0.0289 0.3315 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0373 0.4653 0.5963
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.3315 0.2437
Echinococcus granulosus geminin 0.0205 0.1963 0.2174
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Entamoeba histolytica cysteine proteinase, putative 0.0373 0.4653 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Plasmodium vivax vivapain-2 0.0553 0.7519 1
Trypanosoma cruzi cysteine peptidase, putative 0.018 0.1564 0.1577
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0205 0.1961 0.2138
Onchocerca volvulus 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.3315 0.2437
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Onchocerca volvulus 0.0373 0.4653 0.5946
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0373 0.4653 0.5946
Loa Loa (eye worm) papain family cysteine protease containing protein 0.011 0.0449 0.0449
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Onchocerca volvulus Cathepsin F homolog 0.0553 0.7519 1
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.011 0.0449 0.0042
Brugia malayi Papain family cysteine protease containing protein 0.0289 0.3315 0.3023
Trypanosoma cruzi cysteine protease, putative 0.0289 0.3315 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0289 0.3315 0.4054
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0373 0.4653 0.5946
Echinococcus granulosus aminopeptidase N 0.0271 0.302 0.3663
Plasmodium vivax unspecified product 0.018 0.1564 0.1577
Brugia malayi cahepsin L-like non-peptiedase homolog 0.011 0.0449 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0373 0.4653 0.5946
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0205 0.1961 0.2171
Echinococcus multilocularis cysteine protease 0.0553 0.7519 1
Brugia malayi cathepsin L-like precursor 0.0373 0.4653 0.4419
Echinococcus multilocularis geminin 0.0205 0.1963 0.2174
Echinococcus granulosus cathepsin L cysteine proteinase 0.0553 0.7519 1
Loa Loa (eye worm) cathepsin B 0.0205 0.1961 0.1961
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0416 0.5337 0.6927
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.011 0.0449 0.0042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.2573 0.2573
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Brugia malayi Peptidase family M1 containing protein 0.0271 0.302 0.2714
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.3315 0.4079
Schistosoma mansoni hypothetical protein 0.0205 0.1963 0.2174
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0553 0.7519 0.7519
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0416 0.5337 0.6927
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0553 0.7519 1
Echinococcus multilocularis aminopeptidase N 0.0271 0.302 0.3663
Giardia lamblia Cathepsin B precursor 0.0205 0.1961 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Giardia lamblia Cathepsin B precursor 0.0205 0.1961 1
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Onchocerca volvulus 0.0553 0.7519 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.018 0.1564 0.1564
Echinococcus multilocularis cathepsin L 0.0289 0.3315 0.4079
Brugia malayi glutaminase DH11.1 0.033 0.3965 0.3701
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0289 0.3315 0.3023
Entamoeba histolytica cysteine protease, putative 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Loa Loa (eye worm) hypothetical protein 0.0553 0.7519 0.7519
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.3315 0.4054
Loa Loa (eye worm) hypothetical protein 0.011 0.0449 0.0449
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.011 0.0449 0.0042
Loa Loa (eye worm) hypothetical protein 0.0108 0.0419 0.0419
Brugia malayi Cathepsin L-like cysteine proteinase 0.0373 0.4653 0.4419
Brugia malayi fibroinase precursor 0.011 0.0449 0.0031
Schistosoma mansoni glutaminase 0.033 0.3965 0.4994
Onchocerca volvulus Cathepsin L homolog 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1564 0.1564
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0553 0.7519 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0553 0.7519 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0553 0.7519 1
Brugia malayi Cathepsin L-like precursor 0.0553 0.7519 0.7411
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1564 0.1564
Brugia malayi Cathepsin L-like precursor 0.018 0.1564 0.1195
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.313 1
Brugia malayi Cathepsin L-like precursor 0.0373 0.4653 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.5337 0.5337
Echinococcus multilocularis cathepsin L 0.011 0.0449 0.0042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.011 0.0449 0.0449
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Trypanosoma cruzi cruzipain precursor, putative 0.018 0.1564 0.1577
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0553 0.7519 1
Leishmania major cathepsin L-like protease 0.0553 0.7519 1
Brugia malayi Papain family cysteine protease containing protein 0.011 0.0449 0.0031
Brugia malayi cathepsin F-like cysteine proteinase 0.018 0.1564 0.1195
Echinococcus granulosus cathepsin L cysteine protease 0.0289 0.3315 0.4079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0553 0.7519 1
Entamoeba histolytica cysteine proteinase, putative 0.0553 0.7519 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.018 0.1564 0.1195
Trypanosoma cruzi cysteine peptidase, putative 0.0553 0.7519 1
Echinococcus multilocularis cathepsin b 0.0416 0.5337 0.6927
Mycobacterium leprae probable zinc metalloprotease 0.0108 0.0419 0.5
Entamoeba histolytica cysteine protease, putative 0.0289 0.3315 0.4054
Echinococcus granulosus cathepsin l1 0.0553 0.7519 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1564 0.1564
Schistosoma mansoni cathepsin F (C01 family) 0.0553 0.7519 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.011 0.0449 0.0042
Entamoeba histolytica cysteine proteinase 1, putative 0.0289 0.3315 0.4054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1458 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 (functional) 0.5623 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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