Detailed information for compound 1392388

Basic information

Technical information
  • TDR Targets ID: 1392388
  • Name: tert-butyl 4-[[(1S)-2-[(2-methylpropan-2-yl)o xy]-1-[5-[(1S)-1-[(2-methylpropan-2-yl)oxycar bonylamino]-2-[4-[(2-methylpropan-2-yl)oxy]ph enyl]ethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbam oyl]piperidine-1-carboxylate
  • MW: 687.866 | Formula: C36H57N5O8
  • H donors: 2 H acceptors: 5 LogP: 4.6 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)[C@@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)COC(C)(C)C)Cc1ccc(cc1)OC(C)(C)C
  • InChi: 1S/C36H57N5O8/c1-33(2,3)45-22-27(37-28(42)24-17-19-41(20-18-24)32(44)49-36(10,11)12)30-40-39-29(46-30)26(38-31(43)48-35(7,8)9)21-23-13-15-25(16-14-23)47-34(4,5)6/h13-16,24,26-27H,17-22H2,1-12H3,(H,37,42)(H,38,43)/t26-,27-/m0/s1
  • InChiKey: MOINUKDIJXHEFA-SVBPBHIXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 4-[[(1S)-2-tert-butoxy-1-[5-[(1S)-1-(tert-butoxycarbonylamino)-2-(4-tert-butoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]piperidine-1-carboxylate
  • 4-[[[(1S)-2-tert-butoxy-1-[5-[(1S)-1-[(tert-butoxy-oxomethyl)amino]-2-(4-tert-butoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester
  • 4-[[(1S)-2-tert-butoxy-1-[5-[(1S)-1-(tert-butoxycarbonylamino)-2-(4-tert-butoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester
  • JL-MONO-YS
  • MLS000560578
  • SMR000327478

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
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
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Plasmodium vivax unspecified product 0.0226 0.4031 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0424 0.7666 0.7666
Brugia malayi cathepsin L-like cysteine proteinase 0.009 0.1554 0.1466
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0226 0.4031 0.4031
Toxoplasma gondii cathepsin B 0.0233 0.4166 0.4661
Echinococcus granulosus cathepsin L cysteine protease 0.0226 0.4031 0.3991
Brugia malayi cathepsin Z-like cysteine proteinase 0.009 0.1554 0.1466
Onchocerca volvulus Cathepsin F homolog 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Loa Loa (eye worm) fibroinase 0.0424 0.7666 0.7641
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8937 0.893
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Schistosoma mansoni cathepsin B (C01 family) 0.009 0.1554 0.1554
Loa Loa (eye worm) cathepsin B 0.0233 0.4166 0.4104
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.009 0.1554 0.1971
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.009 0.1554 0.1971
Onchocerca volvulus Cathepsin L homolog 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Echinococcus granulosus cathepsin b 0.0552 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.009 0.1554 0.1464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Echinococcus granulosus cathepsin b 0.0552 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Loa Loa (eye worm) hypothetical protein 0.0424 0.7666 0.7641
Toxoplasma gondii cathepsin CPC1 0.009 0.1554 0.0676
Loa Loa (eye worm) cysteine protease 0.0424 0.7666 0.7641
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.009 0.1554 0.1971
Plasmodium vivax unspecified product 0.0136 0.2387 0.1364
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 0.4031 0.5226
Brugia malayi cahepsin L-like non-peptiedase homolog 0.009 0.1554 0.1466
Echinococcus multilocularis cysteine protease 0.0424 0.7666 0.765
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.7666 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.009 0.1554 0.1466
Schistosoma mansoni cathepsin F (C01 family) 0.0424 0.7666 0.7666
Onchocerca volvulus 0.0424 0.7666 1
Echinococcus multilocularis cathepsin b 0.0552 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0424 0.7666 0.7236
Entamoeba histolytica cysteine proteinase, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Schistosoma mansoni cpg binding protein 0.0037 0.0579 0.0579
Onchocerca volvulus 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Entamoeba histolytica cysteine protease, putative 0.0424 0.7666 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0226 0.4031 0.4031
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0136 0.2387 0.2306
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0424 0.7666 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0424 0.7666 0.7641
Brugia malayi Papain family cysteine protease containing protein 0.0226 0.4031 0.397
Brugia malayi Cathepsin L-like precursor 0.0136 0.2387 0.2308
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0289 0.5188 0.5138
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.1554 0.1554
Plasmodium falciparum cysteine proteinase falcipain 1 0.0226 0.4031 0.4054
Giardia lamblia Cathepsin B precursor 0.0233 0.4166 1
Entamoeba histolytica cysteine proteinase, putative 0.0424 0.7666 1
Trypanosoma cruzi cysteine peptidase, putative 0.0424 0.7666 0.7236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8937 0.893
Brugia malayi Papain family cysteine protease containing protein 0.009 0.1554 0.1466
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Brugia malayi fibroinase precursor 0.009 0.1554 0.1466
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Onchocerca volvulus 0.0424 0.7666 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Loa Loa (eye worm) hypothetical protein 0.0136 0.2387 0.2306
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.009 0.1554 0.1971
Brugia malayi Papain family cysteine protease containing protein 0.009 0.1554 0.1466
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Schistosoma mansoni cpg binding protein 0.0035 0.0543 0.0543
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.009 0.1554 0.1971
Echinococcus granulosus cathepsin L 0.009 0.1554 0.1497
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.1554 0.1554
Schistosoma mansoni cathepsin S (C01 family) 0.009 0.1554 0.1554
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0226 0.4031 0.2934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.1554 0.1554
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0289 0.5188 0.4303
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.009 0.1554 0.1971
Toxoplasma gondii cathepsin CPC2 0.009 0.1554 0.0676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.2387 0.2306
Plasmodium vivax vivapain-1 0.0226 0.4031 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.0424 0.7666 0.765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0233 0.4166 0.4166
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.009 0.1554 0.1971
Echinococcus multilocularis cathepsin L 0.009 0.1554 0.1497
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0424 0.7666 0.7641
Echinococcus multilocularis cathepsin b 0.0552 1 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.009 0.1554 0.1554
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Trypanosoma cruzi cysteine peptidase, putative 0.0136 0.2387 0.0987
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Brugia malayi Cathepsin L-like precursor 0.0289 0.5188 0.5138
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Loa Loa (eye worm) hypothetical protein 0.0552 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.009 0.1554 0.0676
Trypanosoma cruzi cysteine peptidase, putative 0.0424 0.7666 0.7236
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Entamoeba histolytica cysteine proteinase, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Entamoeba histolytica cysteine proteinase 2 0.0226 0.4031 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.5188 0.5946
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0105 0.0039
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0424 0.7666 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0543 0.0445
Loa Loa (eye worm) hypothetical protein 0.0289 0.5188 0.5137
Onchocerca volvulus 0.0424 0.7666 1
Schistosoma mansoni cathepsin s 0.0136 0.2387 0.2387
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0136 0.2387 0.2308
Onchocerca volvulus Cathepsin L homolog 0.009 0.1554 0.1419
Toxoplasma gondii cathepsin CPL 0.0424 0.7666 1
Onchocerca volvulus 0.0289 0.5188 0.6521
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma cruzi cysteine proteinase, putative 0.0226 0.4031 0.2934
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.009 0.1554 0.1554
Echinococcus multilocularis cathepsin L cysteine protease 0.0424 0.7666 0.765
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Entamoeba histolytica cysteine proteinase, putative 0.0226 0.4031 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0552 1 1
Leishmania major cysteine peptidase A (CPA) 0.0424 0.7666 1
Giardia lamblia Cathepsin B precursor 0.0233 0.4166 1
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis conserved hypothetical protein 0.009 0.1554 0.1971
Echinococcus multilocularis cathepsin L 0.0226 0.4031 0.3991
Brugia malayi cathepsin L precursor 0.009 0.1554 0.1466
Loa Loa (eye worm) hypothetical protein 0.0289 0.5188 0.5137
Schistosoma mansoni cathepsin F (C01 family) 0.0289 0.5188 0.5188
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0136 0.2387 0.2308
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.009 0.1554 0.1971
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0424 0.7666 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.009 0.1554 0.1464
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0424 0.7666 0.765
Loa Loa (eye worm) hypothetical protein 0.0289 0.5188 0.5137
Brugia malayi cathepsin L-like precursor 0.0289 0.5188 0.5138
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0579 0.0516
Onchocerca volvulus 0.0424 0.7666 1
Plasmodium vivax vivapain-3 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 0.4031 0.5226
Entamoeba histolytica cysteine proteinase 1, putative 0.0226 0.4031 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Echinococcus granulosus cathepsin l1 0.0289 0.5188 0.5156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Entamoeba histolytica cysteine proteinase, putative 0.0226 0.4031 0.4054
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0543 0.0442
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.009 0.1554 0.1554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Trypanosoma cruzi cysteine protease, putative 0.0226 0.4031 0.2934
Brugia malayi Cathepsin L-like precursor 0.0289 0.5188 0.5138
Trypanosoma brucei cysteine peptidase C (CPC) 0.0233 0.4166 0.037
Plasmodium vivax vivapain-2 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.5188 0.6745
Trypanosoma cruzi cruzipain precursor, putative 0.0136 0.2387 0.0987
Brugia malayi Papain family cysteine protease containing protein 0.009 0.1554 0.1466
Onchocerca volvulus 0.0424 0.7666 1
Echinococcus multilocularis cysteine protease 0.0424 0.7666 0.765
Trypanosoma cruzi cysteine peptidase, putative 0.0226 0.4031 0.2934
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma cruzi cysteine proteinase, putative 0.0226 0.4031 0.2934
Echinococcus granulosus cathepsin L cysteine proteinase 0.0424 0.7666 0.765
Echinococcus granulosus cathepsin l cysteine peptidase 0.0424 0.7666 0.765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.009 0.1554 0.1464
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0424 0.7666 0.7642
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.5188 0.6745
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Brugia malayi Cathepsin L-like precursor 0.0424 0.7666 0.7642
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0552 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0552 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.009 0.1554 0.1971
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.009 0.1554 0.1554
Giardia lamblia Cathepsin B precursor 0.0233 0.4166 1
Brugia malayi cathepsin F-like cysteine proteinase 0.009 0.1554 0.1466
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.009 0.1554 0.1971
Schistosoma mansoni hypothetical protein 0.0494 0.8937 0.8937
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.1554 0.1554
Echinococcus granulosus cathepsin l1 0.0424 0.7666 0.765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma cruzi cysteine peptidase, putative 0.0424 0.7666 0.7236
Schistosoma mansoni cpg binding protein 0.0037 0.0579 0.0579
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0105 0.0039
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.009 0.1554 0.1971
Loa Loa (eye worm) ctsf protein 0.0424 0.7666 0.7641
Echinococcus granulosus cpg binding protein 0.0037 0.0579 0.0516
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0552 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.2387 0.2306
Leishmania major cathepsin L-like protease 0.0424 0.7666 1
Onchocerca volvulus 0.009 0.1554 0.1419
Loa Loa (eye worm) hypothetical protein 0.009 0.1554 0.1464
Plasmodium vivax vivapain-2 0.0424 0.7666 1
Onchocerca volvulus Cathepsin L homolog 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0233 0.4166 0.5403
Trichomonas vaginalis conserved hypothetical protein 0.009 0.1554 0.1971
Schistosoma mansoni cathepsin C 0.009 0.1554 0.1554
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1254 0.1254
Echinococcus granulosus cathepsin L 0.0226 0.4031 0.3991
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0552 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0226 0.4031 0.4031
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0424 0.7666 0.765
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0067 0.0067
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.1554 0.1554
Plasmodium falciparum cysteine proteinase falcipain 3 0.0424 0.7666 1
Brugia malayi Papain family cysteine protease containing protein 0.0226 0.4031 0.397
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0233 0.4166 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.009 0.1554 0.1971
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0424 0.7666 1
Trypanosoma cruzi cysteine peptidase, putative 0.0424 0.7666 0.7236
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1
Onchocerca volvulus 0.0424 0.7666 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0424 0.7666 1
Echinococcus granulosus cysteine protease 0.0226 0.4031 0.3991
Entamoeba histolytica cysteine protease, putative 0.0226 0.4031 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0424 0.7666 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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