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