Detailed information for compound 660507

Basic information

Technical information
  • TDR Targets ID: 660507
  • Name: 3-(2-methylpropoxy)-N-[4-(morpholin-4-ylmethy l)phenyl]benzamide
  • MW: 368.469 | Formula: C22H28N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1cccc(c1)C(=O)Nc1ccc(cc1)CN1CCOCC1)C
  • InChi: 1S/C22H28N2O3/c1-17(2)16-27-21-5-3-4-19(14-21)22(25)23-20-8-6-18(7-9-20)15-24-10-12-26-13-11-24/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,23,25)
  • InChiKey: CBLQZPJUGCLDBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-isobutoxy-N-[4-(morpholinomethyl)phenyl]benzamide
  • EU-0015911
  • STK243845
  • Oprea1_013872

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL 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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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 japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Giardia lamblia Cathepsin B precursor 0.0236 0.0848 0.2192
Trypanosoma cruzi cysteine proteinase, putative 0.0521 0.1893 0.185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.1893 0.5075
Giardia lamblia Cathepsin B precursor 0.1007 0.3679 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0653 0.2381 0.234
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0013 0.0001
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.019
Toxoplasma gondii cathepsin CPL 0.0938 0.3426 0.9303
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0141 0.0927
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0236 0.0848 0.2283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Onchocerca volvulus 0.0938 0.3426 1
Giardia lamblia Cysteine protease 0.0236 0.0848 0.2192
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0053 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0938 0.3426 0.3418
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2728 1 1
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Plasmodium falciparum serine repeat antigen 7 0.0236 0.0848 0.2356
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2728 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0141 0.0927
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0053 0.0117
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Plasmodium vivax unspecified product 0.0285 0.1027 0.2886
Schistosoma mansoni cathepsin s 0.0285 0.1027 0.1027
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0013 0.0001
Toxoplasma gondii preprocathepsin c precursor, putative 0.0236 0.0848 0.2192
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0052 0.0039
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0521 0.1893 0.185
Entamoeba histolytica cysteine proteinase 2 0.0521 0.1893 0.5455
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.1893 0.5075
Echinococcus multilocularis cathepsin L 0.0521 0.1893 0.1883
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0053 0.0117
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0236 0.0848 0.0848
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0236 0.0848 0.0848
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0141 0.0927
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0236 0.0848 0.2356
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.1893 0.5455
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0141 0.0357
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.1893 0.5133
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0521 0.1893 0.1893
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Mycobacterium tuberculosis Conserved protein 0.0043 0.0141 0.0927
Giardia lamblia Encystation-specific protease 0.0236 0.0848 0.2192
Giardia lamblia Cathepsin L-like protease 0.0236 0.0848 0.2192
Toxoplasma gondii cathepsin CPC2 0.0236 0.0848 0.2192
Plasmodium vivax vivapain-2 0.0938 0.3426 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Echinococcus multilocularis cathepsin L cysteine protease 0.0938 0.3426 0.3418
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0052 0.0039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0236 0.0848 0.2283
Brugia malayi cathepsin Z-like cysteine proteinase 0.0236 0.0848 0.0836
Plasmodium falciparum serine repeat antigen 1 0.0236 0.0848 0.2356
Brugia malayi Cathepsin L-like precursor 0.0653 0.2381 0.2371
Plasmodium falciparum cysteine proteinase falcipain 1 0.0521 0.1893 0.5455
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0013 0.0001
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Loa Loa (eye worm) hypothetical protein 0.0285 0.1027 0.1015
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0938 0.3426 0.3418
Loa Loa (eye worm) cathepsin B 0.1007 0.3679 0.3671
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Entamoeba histolytica cysteine protease, putative 0.0938 0.3426 1
Onchocerca volvulus 0.0938 0.3426 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0938 0.3426 0.3418
Trichomonas vaginalis conserved hypothetical protein 0.0236 0.0848 0.2283
Brugia malayi Papain family cysteine protease containing protein 0.0236 0.0848 0.0836
Brugia malayi beta-lactamase family protein 0.0043 0.0141 0.0129
Onchocerca volvulus 0.0938 0.3426 1
Trichomonas vaginalis esterase, putative 0.0043 0.0141 0.0357
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Loa Loa (eye worm) hypothetical protein 0.0653 0.2381 0.2371
Plasmodium falciparum serine repeat antigen 6 0.0236 0.0848 0.2356
Schistosoma mansoni hypothetical protein 0.0019 0.0052 0.0052
Echinococcus granulosus cathepsin l1 0.0653 0.2381 0.2371
Schistosoma mansoni smad1 5 8 and 0.0008 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0205 0.0733 0.0733
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0236 0.0848 0.2356
Loa Loa (eye worm) ctsf protein 0.0938 0.3426 0.3418
Trypanosoma cruzi cruzipain precursor, putative 0.0285 0.1027 0.0979
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0236 0.0848 0.0836
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Toxoplasma gondii cathepsin CPC1 0.0236 0.0848 0.2192
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0236 0.0848 0.0848
Plasmodium falciparum serine repeat antigen 2 0.0236 0.0848 0.2356
Onchocerca volvulus 0.0043 0.0141 0.0097
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Brugia malayi cathepsin Z-like cysteine proteinase 0.0236 0.0848 0.0836
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Trichomonas vaginalis conserved hypothetical protein 0.0236 0.0848 0.2283
Plasmodium falciparum cysteine proteinase falcipain 3 0.0938 0.3426 1
Onchocerca volvulus Cathepsin L homolog 0.0938 0.3426 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0236 0.0848 0.2356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0236 0.0848 0.2283
Onchocerca volvulus 0.0938 0.3426 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Trypanosoma cruzi cysteine peptidase, putative 0.0938 0.3426 0.3391
Echinococcus multilocularis cysteine protease 0.0938 0.3426 0.3418
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0236 0.0848 0.0836
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0938 0.3426 0.3418
Loa Loa (eye worm) hypothetical protein 0.0019 0.0052 0.0039
Echinococcus granulosus cathepsin l1 0.0938 0.3426 0.3418
Loa Loa (eye worm) hypothetical protein 0.0041 0.0133 0.012
Plasmodium vivax vivapain-3 0.0521 0.1893 0.5455
Schistosoma mansoni hypothetical protein 0.0205 0.0733 0.0733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0236 0.0848 0.0848
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0141 0.0129
Giardia lamblia Cysteine protease 0.0236 0.0848 0.2192
Schistosoma mansoni smad 0.0008 0.0013 0.0013
Giardia lamblia Cathepsin L-like protease 0.0236 0.0848 0.2192
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0236 0.0848 0.2283
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.1007 0.3679 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0141 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0185 0.0172
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0053 0.0041
Onchocerca volvulus 0.0938 0.3426 1
Trypanosoma cruzi cysteine peptidase, putative 0.0938 0.3426 0.3391
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2728 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0141 0.0357
Plasmodium falciparum serine repeat antigen 5 0.0236 0.0848 0.2356
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0021 0.0008
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.1893 0.5455
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0141 0.0243
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Brugia malayi beta-lactamase 0.0043 0.0141 0.0129
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2728 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0236 0.0848 0.2356
Brugia malayi cathepsin F-like cysteine proteinase 0.0285 0.1027 0.1015
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0141 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0236 0.0848 0.0848
Brugia malayi cathepsin L-like precursor 0.0653 0.2381 0.2371
Plasmodium falciparum serine repeat antigen 8 0.0236 0.0848 0.2356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Schistosoma mansoni cpg binding protein 0.0037 0.0116 0.0116
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0938 0.3426 0.9312
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Onchocerca volvulus Cathepsin L homolog 0.0236 0.0848 0.2228
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0236 0.0848 0.2283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0141 0.0927
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1796 0.1785
Giardia lamblia Cathepsin B precursor 0.0236 0.0848 0.2192
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0236 0.0848 0.2356
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Giardia lamblia Cysteine protease 0.0236 0.0848 0.2192
Echinococcus granulosus cathepsin b 0.2728 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0285 0.1027 0.1015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0052 0.0039
Trypanosoma cruzi cysteine peptidase, putative 0.0938 0.3426 0.3391
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.1893 0.5455
Echinococcus granulosus cathepsin b 0.2728 1 1
Brugia malayi MH2 domain containing protein 0.0124 0.0437 0.0425
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0141 0.0129
Echinococcus multilocularis geminin 0.0205 0.0733 0.0721
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Echinococcus granulosus cathepsin L 0.0521 0.1893 0.1883
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Echinococcus granulosus cpg binding protein 0.0037 0.0116 0.0104
Trypanosoma cruzi cysteine protease, putative 0.0521 0.1893 0.185
Toxoplasma gondii cathepsin B 0.1007 0.3679 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0236 0.0848 0.0836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0653 0.2381 0.6462
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0236 0.0848 0.0848
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0236 0.0848 0.2356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0236 0.0848 0.2283
Onchocerca volvulus 0.0043 0.0141 0.0097
Schistosoma mansoni hypothetical protein 0.0494 0.1796 0.1796
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Brugia malayi cathepsin L precursor 0.0236 0.0848 0.0836
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0236 0.0848 0.2283
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0938 0.3426 0.3418
Plasmodium vivax unspecified product 0.0236 0.0848 0.2356
Loa Loa (eye worm) cysteine protease 0.0938 0.3426 0.3418
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0236 0.0848 0.2356
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0021 0.0008
Echinococcus multilocularis cathepsin b 0.2728 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1007 0.3679 0.3679
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Plasmodium vivax vivapain-1 0.0521 0.1893 0.5455
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0236 0.0848 0.2356
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Plasmodium vivax vivapain-2 0.0938 0.3426 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0236 0.0848 0.2356
Entamoeba histolytica cysteine proteinase, putative 0.0938 0.3426 1
Brugia malayi Cathepsin L-like precursor 0.0285 0.1027 0.1015
Plasmodium falciparum serine repeat antigen 4 0.0236 0.0848 0.2356
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.1893 0.5455
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0053 0.0041
Onchocerca volvulus Cathepsin F homolog 0.0938 0.3426 1
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Echinococcus multilocularis cysteine protease 0.0938 0.3426 0.3418
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0141 0.0357
Schistosoma mansoni hypothetical protein 0.0041 0.0133 0.0133
Onchocerca volvulus 0.0938 0.3426 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0185 0.0185
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0285 0.1027 0.1015
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0236 0.0848 0.2192
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0236 0.0848 0.2283
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0236 0.0848 0.2283
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Brugia malayi Papain family cysteine protease containing protein 0.0521 0.1893 0.1883
Leishmania major cysteine peptidase A (CPA) 0.0938 0.3426 0.9303
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0203 0.019
Entamoeba histolytica cysteine proteinase, putative 0.0653 0.2381 0.6901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0185 0.0172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0236 0.0848 0.2356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Trypanosoma cruzi cysteine proteinase, putative 0.0521 0.1893 0.185
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0223 0.0468
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0141 0.0927
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0236 0.0848 0.2356
Onchocerca volvulus Cathepsin L homolog 0.0938 0.3426 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0236 0.0848 0.0848
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Schistosoma mansoni cathepsin S (C01 family) 0.0236 0.0848 0.0848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.1893 0.5133
Giardia lamblia Cathepsin L precursor 0.0236 0.0848 0.2192
Plasmodium falciparum serine repeat antigen 3 0.0236 0.0848 0.2356
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0236 0.0848 0.2192
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0236 0.0848 0.2283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Trypanosoma brucei cysteine peptidase C (CPC) 0.1007 0.3679 1
Leishmania major hypothetical protein, conserved 0.0043 0.0141 0.0243
Loa Loa (eye worm) hypothetical protein 0.0236 0.0848 0.0836
Loa Loa (eye worm) hypothetical protein 0.0653 0.2381 0.2371
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1002 1
Onchocerca volvulus 0.0653 0.2381 0.6849
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Plasmodium vivax serine-repeat antigen (SERA) 0.0236 0.0848 0.2356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Leishmania major cathepsin L-like protease 0.0938 0.3426 0.9303
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0938 0.3426 0.9312
Brugia malayi Papain family cysteine protease containing protein 0.0938 0.3426 0.3418
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0185 0.0172
Giardia lamblia Cathepsin B precursor 0.1007 0.3679 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0053 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0938 0.3426 0.3391
Loa Loa (eye worm) hypothetical protein 0.2728 1 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0236 0.0848 0.2356
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0521 0.1893 0.1893
Schistosoma mansoni smad1 5 8 and 0.0008 0.0013 0.0013
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2728 1 1
Schistosoma mansoni Smad4 0.0008 0.0013 0.0013
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0185 0.0172
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Echinococcus multilocularis cpg binding protein 0.0037 0.0116 0.0104
Mycobacterium ulcerans beta-lactamase 0.0043 0.0141 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0236 0.0848 0.0799
Giardia lamblia Hypothetical protein 0.0236 0.0848 0.2192
Giardia lamblia Cysteine protease 0.0236 0.0848 0.2192
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0141 0.0129
Echinococcus granulosus cathepsin L cysteine proteinase 0.0938 0.3426 0.3418
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1007 0.3679 1
Giardia lamblia Hypothetical protein 0.0236 0.0848 0.2192
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0203 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Loa Loa (eye worm) hypothetical protein 0.0653 0.2381 0.2371
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0938 0.3426 0.9312
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Loa Loa (eye worm) hypothetical protein 0.0285 0.1027 0.1015
Schistosoma mansoni cathepsin B (C01 family) 0.0236 0.0848 0.0848
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0141 0.0088
Echinococcus multilocularis GPCR, family 2 0.0019 0.0052 0.0039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Brugia malayi cathepsin F-like cysteine proteinase 0.0236 0.0848 0.0836
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0141 0.0261
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Loa Loa (eye worm) fibroinase 0.0938 0.3426 0.3418
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0236 0.0848 0.2356
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0053 0.0041
Loa Loa (eye worm) hypothetical protein 0.0938 0.3426 0.3418
Onchocerca volvulus 0.0043 0.0141 0.0097
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0052 0.0039
Onchocerca volvulus 0.0236 0.0848 0.2228
Schistosoma mansoni hypothetical protein 0.0019 0.0052 0.0052
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0236 0.0848 0.0848
Mycobacterium ulcerans hypothetical protein 0.0043 0.0141 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0252 0.0252
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0141 0.0357
Brugia malayi Cathepsin L-like cysteine proteinase 0.0653 0.2381 0.2371
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0437 0.0425
Mycobacterium ulcerans lipase LipD 0.0043 0.0141 1
Echinococcus granulosus GPCR family 2 0.0019 0.0052 0.0039
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Loa Loa (eye worm) beta-lactamase 0.0043 0.0141 0.0129
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0938 0.3426 1
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Schistosoma mansoni hypothetical protein 0.0019 0.0052 0.0052
Schistosoma mansoni cathepsin F (C01 family) 0.0938 0.3426 0.3426
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0236 0.0848 0.2356
Plasmodium falciparum serine repeat antigen 9 0.0236 0.0848 0.2356
Schistosoma mansoni cathepsin C 0.0236 0.0848 0.0848
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0236 0.0848 0.2192
Entamoeba histolytica cysteine protease, putative 0.0236 0.0848 0.2356
Onchocerca volvulus 0.0938 0.3426 1
Echinococcus granulosus geminin 0.0205 0.0733 0.0721
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0109 0.0096
Echinococcus multilocularis cathepsin L 0.0236 0.0848 0.0836
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Schistosoma mansoni smad1 5 8 and 0.0008 0.0013 0.0013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0013 0.0013
Schistosoma mansoni cathepsin F (C01 family) 0.0938 0.3426 0.3426
Echinococcus granulosus cysteine protease 0.0521 0.1893 0.1883
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0185 0.0172
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0236 0.0848 0.2283
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0021 0.0008
Loa Loa (eye worm) hypothetical protein 0.0043 0.0141 0.0129
Trypanosoma cruzi major cysteine proteinase, putative 0.0236 0.0848 0.0799
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0236 0.0848 0.2356
Giardia lamblia Cathepsin B precursor 0.0236 0.0848 0.2192
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0437 0.0425
Brugia malayi Papain family cysteine protease containing protein 0.0236 0.0848 0.0836
Brugia malayi CXXC zinc finger family protein 0.0035 0.0109 0.0096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0185 0.0185
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Brugia malayi Papain family cysteine protease containing protein 0.0236 0.0848 0.0836
Brugia malayi beta-lactamase family protein 0.0043 0.0141 0.0129
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0052 0.0039
Trypanosoma cruzi cruzipain precursor, putative 0.0938 0.3426 0.3391
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0141 0.0927
Mycobacterium leprae Probable lipase LipE 0.0043 0.0141 0.5
Echinococcus multilocularis cathepsin b 0.2728 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0141 0.0927
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0141 0.0927
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0013 0.0013
Schistosoma mansoni ap endonuclease 0.002 0.0053 0.0053
Echinococcus granulosus cathepsin L 0.0236 0.0848 0.0836
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0052 0.0039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0185 0.0185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0141 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0141 0.0357
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0236 0.0848 0.0836
Brugia malayi cathepsin L-like cysteine proteinase 0.0236 0.0848 0.0836
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0141 0.0141
Trypanosoma cruzi cysteine peptidase, putative 0.0521 0.1893 0.185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0653 0.2381 0.6462
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0236 0.0848 0.2356
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0236 0.0848 0.0848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0141 0.0141
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1007 0.3679 0.3645
Schistosoma mansoni hypothetical protein 0.0019 0.0052 0.0052
Echinococcus granulosus cathepsin l cysteine peptidase 0.0938 0.3426 0.3418
Brugia malayi Cathepsin L-like precursor 0.0938 0.3426 0.3418
Entamoeba histolytica cysteine proteinase, putative 0.0938 0.3426 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0141 0.0129
Toxoplasma gondii ABC1 family protein 0.0043 0.0141 0.0243
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0141 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0938 0.3426 0.9303
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0013 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0938 0.3426 0.9312
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0236 0.0848 0.2283
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0021 0.0008
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0053 0.0041
Schistosoma mansoni cpg binding protein 0.0037 0.0116 0.0116
Entamoeba histolytica cysteine proteinase 1, putative 0.0521 0.1893 0.5455
Schistosoma mansoni cpg binding protein 0.0035 0.0109 0.0109
Plasmodium vivax unspecified product 0.0521 0.1893 0.5455
Loa Loa (eye worm) hypothetical protein 0.0285 0.1027 0.1015
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0052 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0133 0.012
Brugia malayi fibroinase precursor 0.0236 0.0848 0.0836
Giardia lamblia Cathepsin B precursor 0.0236 0.0848 0.2192
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0236 0.0848 0.2192
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0185 0.0172
Brugia malayi Papain family cysteine protease containing protein 0.0521 0.1893 0.1883
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1796 0.1785
Entamoeba histolytica hypothetical protein 0.0236 0.0848 0.2356
Brugia malayi Cathepsin L-like precursor 0.0653 0.2381 0.2371
Entamoeba histolytica cysteine protease, putative 0.0521 0.1893 0.5455
Mycobacterium tuberculosis Conserved protein 0.0043 0.0141 0.0927
Giardia lamblia Cathepsin B precursor 0.1007 0.3679 1
Echinococcus granulosus cathepsin L cysteine protease 0.0521 0.1893 0.1883
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0521 0.1893 0.1893
Giardia lamblia Cathepsin B precursor 0.0236 0.0848 0.2192
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0938 0.3426 1
Schistosoma mansoni cathepsin F (C01 family) 0.0653 0.2381 0.2381
Schistosoma mansoni ap endonuclease 0.002 0.0053 0.0053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0203 0.019
Trypanosoma cruzi cysteine peptidase, putative 0.0285 0.1027 0.0979

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3078 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) 8.2753 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 (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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