Detailed information for compound 1373644

Basic information

Technical information
  • TDR Targets ID: 1373644
  • Name: SMR000253849
  • MW: 480.48 | Formula: C23H27F3N4O4
  • H donors: 3 H acceptors: 2 LogP: 2.99 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F)C)NC(=O)C
  • InChi: 1S/C23H27F3N4O4/c1-14(27-19-13-17(28-15(2)31)5-7-21(19)33-3)22(32)29-18-12-16(23(24,25)26)4-6-20(18)30-8-10-34-11-9-30/h4-7,12-14,27H,8-11H2,1-3H3,(H,28,31)(H,29,32)
  • InChiKey: BLDPGZWKUWOVOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T5317042
  • MLS000336295

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0603 0.0572
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0142 0.0884 0.1849
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Giardia lamblia Cysteine protease 0.0142 0.0884 0.2208
Echinococcus multilocularis calpain 7 (C02 family) 0.0061 0.0272 0.0247
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0061 0.0272 0.0189
Entamoeba histolytica cysteine proteinase, putative 0.0329 0.2311 0.5247
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Loa Loa (eye worm) cysteine protease 0.0604 0.4406 0.4406
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0604 0.4406 1
Echinococcus multilocularis calpain 0.0061 0.0272 0.0247
Loa Loa (eye worm) hypothetical protein 0.0188 0.1233 0.1233
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Plasmodium falciparum cysteine proteinase falcipain 1 0.0329 0.2311 0.5154
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Onchocerca volvulus 0.0101 0.0577 0.1246
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0142 0.0884 0.1849
Mycobacterium leprae Probable pyruvate kinase PykA 0.0037 0.0085 0.5
Echinococcus granulosus cysteine protease 0.0329 0.2311 0.2246
Plasmodium falciparum serine repeat antigen 6 0.0142 0.0884 0.1849
Giardia lamblia Cathepsin B precursor 0.0142 0.0884 0.2208
Entamoeba histolytica cysteine proteinase, putative 0.0604 0.4406 1
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0085 0.0085
Onchocerca volvulus Matrix metalloproteinase homolog 0.0047 0.016 0.0293
Brugia malayi Papain family cysteine protease containing protein 0.0329 0.2311 0.2287
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Onchocerca volvulus Dual oxidase homolog 0.0105 0.0603 0.1305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0508 0.0478
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0417 0.2978 0.6696
Leishmania major cathepsin L-like protease 0.0698 0.5117 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0302 0.0302
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0142 0.0884 0.1849
Brugia malayi calpain 5 0.0043 0.0132 0.01
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0604 0.4406 0.4391
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Trypanosoma brucei antigen, putative 0.0061 0.0272 0.0373
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0142 0.0884 0.1849
Echinococcus multilocularis cathepsin L 0.0142 0.0884 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0604 0.4406 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0142 0.0884 0.1849
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0603 0.0603
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0373
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0189
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0163 0.1045 0.1016
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1339 1 1
Giardia lamblia Cathepsin L-like protease 0.0142 0.0884 0.2208
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0603 0.0572
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0884 0.0854
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Leishmania major cathepsin L-like protease 0.0604 0.4406 0.8587
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0125 0.0755 0.0725
Plasmodium falciparum serine repeat antigen 3 0.0142 0.0884 0.1849
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0302 0.0271
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Toxoplasma gondii cathepsin CPL 0.0604 0.4406 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0508 0.0427
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0177 0.1151 0.1122
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0189
Brugia malayi hypothetical protein 0.0243 0.1657 0.163
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Echinococcus multilocularis cathepsin b 0.1339 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Echinococcus granulosus cathepsin L 0.0329 0.2311 0.2246
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0142 0.0884 0.1849
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0105 0.0603 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Plasmodium vivax vivapain-2 0.0604 0.4406 1
Onchocerca volvulus Peroxidasin homolog 0.0105 0.0603 0.1305
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0142 0.0884 0.1849
Brugia malayi hypothetical protein 0.0105 0.0603 0.0572
Giardia lamblia Cathepsin B precursor 0.0512 0.3703 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Echinococcus granulosus calpain A 0.0177 0.1154 0.1079
Mycobacterium ulcerans pyruvate kinase 0.0037 0.0085 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0329 0.2311 0.4425
Brugia malayi Blistered cuticle protein 3 0.0105 0.0603 0.0572
Onchocerca volvulus 0.0105 0.0603 0.1305
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.0884 0.1849
Schistosoma mansoni dopamine-beta-monooxygenase 0.0246 0.1677 0.1651
Leishmania major kinesin, putative 0.0043 0.0132 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Plasmodium vivax unspecified product 0.0329 0.2311 0.5154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0508 0.0478
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0177 0.1151 0.1122
Entamoeba histolytica cysteine proteinase 2 0.0329 0.2311 0.5247
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0272 0.0373
Onchocerca volvulus 0.0604 0.4406 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Echinococcus granulosus calpain 5 0.0061 0.0272 0.0189
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0142 0.0884 0.1849
Loa Loa (eye worm) fibroinase 0.0604 0.4406 0.4406
Loa Loa (eye worm) hypothetical protein 0.0037 0.0085 0.0085
Leishmania major cathepsin L-like protease 0.0698 0.5117 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1339 1 1
Schistosoma mansoni calpain C (C02 family) 0.0061 0.0272 0.0241
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0508 0.0478
Entamoeba histolytica hypothetical protein 0.0142 0.0884 0.2006
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0177 0.1151 0.1075
Entamoeba histolytica cysteine protease, putative 0.0604 0.4406 1
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0329 0.2311 0.5154
Toxoplasma gondii cathepsin CPC2 0.0142 0.0884 0.1849
Toxoplasma gondii preprocathepsin c precursor, putative 0.0142 0.0884 0.1849
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.1657 0.1657
Brugia malayi cathepsin L-like precursor 0.0417 0.2978 0.2955
Loa Loa (eye worm) calpain 5 0.0043 0.0132 0.0132
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0884 0.0854
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0329 0.2311 0.2287
Brugia malayi cathepsin Z-like cysteine proteinase 0.0142 0.0884 0.0854
Plasmodium falciparum serine repeat antigen 2 0.0142 0.0884 0.1849
Onchocerca volvulus Matrilysin homolog 0.0047 0.016 0.0293
Brugia malayi cathepsin L-like cysteine proteinase 0.0142 0.0884 0.0854
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0512 0.3703 0.8374
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0142 0.0884 0.0884
Schistosoma mansoni hypothetical protein 0.0187 0.1227 0.1199
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1339 1 1
Schistosoma mansoni peroxidasin 0.0105 0.0603 0.0572
Echinococcus granulosus tar DNA binding protein 0.0065 0.0302 0.022
Trypanosoma cruzi cruzipain precursor, putative 0.0698 0.5117 0.5075
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0463 0.3331 0.3309
Giardia lamblia Cathepsin B precursor 0.0512 0.3703 1
Brugia malayi Cathepsin L-like precursor 0.0417 0.2978 0.2955
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0272 0.0373
Chlamydia trachomatis pyruvate kinase 0.0037 0.0085 0.5
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0272 0.0373
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0183 0.0151
Schistosoma mansoni pyruvate kinase 0.0037 0.0085 0.0053
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0077 0.0387 0.0305
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0142 0.0884 0.0884
Leishmania major cathepsin L-like protease 0.0698 0.5117 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1233 0.1233
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0142 0.0884 0.2208
Loa Loa (eye worm) hypothetical protein 0.0163 0.1045 0.1045
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0142 0.0884 0.1849
Loa Loa (eye worm) calpain family protein 1 0.012 0.0718 0.0718
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0512 0.3703 0.7191
Plasmodium falciparum serine repeat antigen 4 0.0142 0.0884 0.1849
Schistosoma mansoni calpain-7 (C02 family) 0.0061 0.0272 0.0241
Loa Loa (eye worm) matrixin family protein 0.0051 0.0192 0.0192
Echinococcus granulosus calpain 7 C02 family 0.0061 0.0272 0.0189
Trypanosoma cruzi cysteine protease, putative 0.0329 0.2311 0.2246
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0142 0.0884 0.0854
Brugia malayi Cathepsin L-like cysteine proteinase 0.0417 0.2978 0.2955
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0142 0.0884 0.1849
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Echinococcus multilocularis cathepsin L cysteine protease 0.0604 0.4406 0.4391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0508 0.0478
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0604 0.4406 0.4406
Plasmodium vivax unspecified product 0.0142 0.0884 0.1849
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Trypanosoma cruzi kinesin, putative 0.0043 0.0132 0.0048
Loa Loa (eye worm) hypothetical protein 0.0246 0.1677 0.1677
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0085 0.0121
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.1657 0.1635
Plasmodium falciparum serine repeat antigen 9 0.0142 0.0884 0.1849
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0508 0.0427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Toxoplasma gondii cathepsin B 0.0512 0.3703 0.8374
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.0085 0.0053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0329 0.2311 0.2246
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.1586 0.1586
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0246 0.1677 0.1651
Brugia malayi cathepsin Z-like cysteine proteinase 0.0142 0.0884 0.0854
Plasmodium vivax vivapain-1 0.0329 0.2311 0.5154
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0302 0.0271
Trypanosoma cruzi kinesin, putative 0.0043 0.0132 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0302 0.0271
Schistosoma mansoni calpain (C02 family) 0.0061 0.0272 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0604 0.4406 1
Trypanosoma cruzi cysteine peptidase, putative 0.0329 0.2311 0.2246
Echinococcus granulosus cathepsin L cysteine proteinase 0.0604 0.4406 0.4358
Onchocerca volvulus Peroxidasin homolog 0.0105 0.0603 0.1305
Trypanosoma cruzi cysteine proteinase, putative 0.0329 0.2311 0.2246
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0142 0.0884 0.2208
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1339 1 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.2978 0.2978
Echinococcus multilocularis cathepsin L 0.0329 0.2311 0.2292
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Echinococcus granulosus cathepsin l1 0.0417 0.2978 0.2918
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0142 0.0884 0.1849
Giardia lamblia Cathepsin B precursor 0.0512 0.3703 1
Giardia lamblia Encystation-specific protease 0.0142 0.0884 0.2208
Plasmodium vivax calpain, putative 0.0061 0.0272 0.0435
Giardia lamblia Hypothetical protein 0.0142 0.0884 0.2208
Leishmania major cathepsin L-like protease 0.0604 0.4406 0.8587
Giardia lamblia Cathepsin B precursor 0.0142 0.0884 0.2208
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Schistosoma mansoni cathepsin C 0.0142 0.0884 0.0854
Loa Loa (eye worm) hypothetical protein 0.0417 0.2978 0.2978
Onchocerca volvulus 0.0604 0.4406 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.0884 0.1849
Brugia malayi Papain family cysteine protease containing protein 0.0604 0.4406 0.4388
Leishmania major cysteine peptidase A (CPA) 0.0604 0.4406 0.8587
Onchocerca volvulus 0.0105 0.0603 0.1305
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0142 0.0884 0.0854
Brugia malayi Cathepsin L-like precursor 0.0417 0.2978 0.2955
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0463 0.3331 0.3313
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0512 0.3703 0.3649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0884 0.0854
Entamoeba histolytica protein kinase, putative 0.0043 0.0132 0.0299
Schistosoma mansoni Mername-AA248 (C02 family) 0.0061 0.0272 0.0241
Echinococcus multilocularis calpain 5 0.0061 0.0272 0.0247
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0142 0.0884 0.1849
Schistosoma mansoni survival motor neuron protein 0.005 0.0183 0.0151
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Entamoeba histolytica cysteine proteinase, putative 0.0329 0.2311 0.5247
Trypanosoma cruzi major cysteine proteinase, putative 0.0142 0.0884 0.0806
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0329 0.2311 0.5154
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0884 0.1849
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0373
Brugia malayi TAR-binding protein 0.0065 0.0302 0.0271
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0604 0.4406 1
Trypanosoma cruzi cysteine peptidase, putative 0.0188 0.1233 0.1158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.08 0.5897 0.5886
Onchocerca volvulus 0.005 0.0183 0.0344
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Echinococcus multilocularis microtubule associated protein 2 0.0761 0.5596 0.5585
Brugia malayi MH2 domain containing protein 0.0234 0.1586 0.1559
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0077 0.0387 0.0363
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0142 0.0884 0.1849
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0142 0.0884 0.2208
Loa Loa (eye worm) hypothetical protein 0.1339 1 1
Loa Loa (eye worm) hypothetical protein 0.0604 0.4406 0.4406
Plasmodium vivax vivapain-3 0.0329 0.2311 0.5154
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0188 0.1233 0.1233
Echinococcus multilocularis cathepsin L cysteine protease 0.0604 0.4406 0.4391
Trypanosoma cruzi cruzipain precursor, putative 0.0188 0.1233 0.1158
Onchocerca volvulus 0.0417 0.2978 0.6735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0373
Leishmania major cathepsin L-like protease 0.0604 0.4406 0.8587
Toxoplasma gondii cathepsin CPC1 0.0142 0.0884 0.1849
Echinococcus granulosus calpain 0.0061 0.0272 0.0189
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0085 0.0121
Echinococcus granulosus cathepsin l1 0.0604 0.4406 0.4358
Schistosoma mansoni cathepsin F (C01 family) 0.0604 0.4406 0.4388
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0189
Brugia malayi Papain family cysteine protease containing protein 0.0329 0.2311 0.2287
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0463 0.3331 0.3274
Brugia malayi calpain family protein 1 0.0163 0.1045 0.1016
Onchocerca volvulus 0.0604 0.4406 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0329 0.2311 0.4425
Giardia lamblia Cysteine protease 0.0142 0.0884 0.2208
Onchocerca volvulus Cathepsin L homolog 0.0604 0.4406 1
Giardia lamblia Cathepsin B precursor 0.0142 0.0884 0.2208
Trypanosoma brucei cysteine peptidase C (CPC) 0.0512 0.3703 0.7191
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0142 0.0884 0.0884
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0189
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0189
Plasmodium vivax serine-repeat antigen (SERA) 0.0142 0.0884 0.1849
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0603 0.0572
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Echinococcus granulosus cathepsin b 0.1339 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0603 0.0603
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Giardia lamblia Cathepsin B precursor 0.0142 0.0884 0.2208
Echinococcus granulosus geminin 0.0187 0.1227 0.1152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Echinococcus multilocularis pyruvate kinase 0.0037 0.0085 0.0059
Loa Loa (eye worm) matrixin family protein 0.0047 0.016 0.016
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0142 0.0884 0.0854
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.1657 0.1586
Echinococcus granulosus calpain A 0.0061 0.0272 0.0189
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0272 0.0373
Brugia malayi cathepsin L precursor 0.0142 0.0884 0.0854
Entamoeba histolytica cysteine proteinase, putative 0.0329 0.2311 0.5247
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0884 0.0854
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.1586 0.1586
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Echinococcus multilocularis cysteine protease 0.0604 0.4406 0.4391
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0142 0.0884 0.2208
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Echinococcus granulosus peroxidasin 0.0105 0.0603 0.0522
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0142 0.0884 0.1849
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0508 0.0484
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0373
Onchocerca volvulus Cathepsin L homolog 0.0142 0.0884 0.1947
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0142 0.0884 0.1849
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1339 1 1
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Schistosoma mansoni hypothetical protein 0.005 0.0183 0.0151
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0085 0.0085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0463 0.3331 0.3309
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Onchocerca volvulus 0.0604 0.4406 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0188 0.1233 0.1204
Echinococcus granulosus microtubule associated protein 2 0.0761 0.5596 0.5558
Schistosoma mansoni cathepsin F (C01 family) 0.0417 0.2978 0.2955
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0189
Entamoeba histolytica cysteine proteinase, putative 0.0604 0.4406 1
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0085 0.0085
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0142 0.0884 0.0854
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0884 0.0854
Brugia malayi calpain 7 0.0061 0.0272 0.0241
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0884 0.0854
Loa Loa (eye worm) hypothetical protein 0.012 0.0718 0.0718
Loa Loa (eye worm) hypothetical protein 0.0101 0.0577 0.0577
Onchocerca volvulus Peroxidase homolog 0.0105 0.0603 0.1305
Onchocerca volvulus 0.0142 0.0884 0.1947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Brugia malayi RNA binding protein 0.0065 0.0302 0.0271
Loa Loa (eye worm) RNA binding protein 0.0065 0.0302 0.0302
Plasmodium falciparum serine repeat antigen 7 0.0142 0.0884 0.1849
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Entamoeba histolytica cysteine proteinase, putative 0.0329 0.2311 0.5247
Brugia malayi fibroinase precursor 0.0142 0.0884 0.0854
Entamoeba histolytica cysteine protease, putative 0.0142 0.0884 0.2006
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0302 0.0271
Brugia malayi calpain family protein 1 0.0163 0.1045 0.1016
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0142 0.0884 0.1849
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0302 0.0302
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Echinococcus granulosus cathepsin l cysteine peptidase 0.0604 0.4406 0.4358
Trypanosoma cruzi major cysteine proteinase, putative 0.0235 0.1595 0.1523
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Echinococcus multilocularis geminin 0.0187 0.1227 0.1204
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.0884 0.1849
Trypanosoma cruzi cysteine peptidase, putative 0.0698 0.5117 0.5075
Onchocerca volvulus Chorion peroxidase homolog 0.0105 0.0603 0.1305
Schistosoma mansoni cathepsin B (C01 family) 0.0142 0.0884 0.0854
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Onchocerca volvulus Cathepsin F homolog 0.0604 0.4406 1
Trypanosoma brucei kinesin, putative 0.0043 0.0132 0.0094
Onchocerca volvulus 0.0105 0.0603 0.1305
Echinococcus multilocularis pyruvate kinase 0.0037 0.0085 0.0059
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0302 0.0271
Onchocerca volvulus Peroxidase homolog 0.0105 0.0603 0.1305
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0189
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0272 0.0189
Echinococcus granulosus cathepsin b 0.1339 1 1
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Plasmodium vivax vivapain-2 0.0604 0.4406 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0177 0.1151 0.1128
Onchocerca volvulus 0.0604 0.4406 1
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0085 0.0121
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Plasmodium falciparum serine repeat antigen 8 0.0142 0.0884 0.1849
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.051 0.3689 0.3635
Giardia lamblia Cathepsin B precursor 0.0142 0.0884 0.2208
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0189
Loa Loa (eye worm) cathepsin B 0.0512 0.3703 0.3703
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0508 0.0484
Loa Loa (eye worm) hypothetical protein 0.0463 0.3331 0.3331
Plasmodium vivax serine-repeat antigen (SERA) 0.0142 0.0884 0.1849
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0884 0.0854
Schistosoma mansoni peroxidasin 0.0105 0.0603 0.0572
Brugia malayi Peroxidasin 0.0105 0.0603 0.0572
Onchocerca volvulus 0.0604 0.4406 1
Giardia lamblia Cysteine protease 0.0142 0.0884 0.2208
Giardia lamblia Hypothetical protein 0.0142 0.0884 0.2208
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0604 0.4406 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0246 0.1677 0.1651
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0884 0.1849
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0142 0.0884 0.2006
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.0085 0.5
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0603 0.0572
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Giardia lamblia Cathepsin L-like protease 0.0142 0.0884 0.2208
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0188 0.1233 0.1204
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0512 0.3703 0.3683
Entamoeba histolytica cysteine proteinase 1, putative 0.0329 0.2311 0.5247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0417 0.2978 0.6696
Entamoeba histolytica cysteine proteinase, putative 0.0417 0.2978 0.6759
Loa Loa (eye worm) hypothetical protein 0.0142 0.0884 0.0884
Schistosoma mansoni calpain-7 (C02 family) 0.0061 0.0272 0.0241
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0603 0.0572
Entamoeba histolytica calpain large subunit domain III containing protein 0.0043 0.0132 0.0299
Echinococcus multilocularis calpain A 0.0177 0.1154 0.1131
Brugia malayi Cathepsin L-like precursor 0.0604 0.4406 0.4388
Echinococcus multilocularis calpain family protein 1, d 0.012 0.0718 0.0694
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0142 0.0884 0.1849
Leishmania major cathepsin L-like protease 0.0604 0.4406 0.8587
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0604 0.4406 0.4406
Onchocerca volvulus Cathepsin L homolog 0.0604 0.4406 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0142 0.0884 0.0854
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0142 0.0884 0.2006
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0121 0.0727 0.0697
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.0085 0.0053
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0302 0.0277
Trypanosoma cruzi cysteine peptidase, putative 0.0604 0.4406 0.4358
Echinococcus granulosus cathepsin L 0.0142 0.0884 0.0806
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0142 0.0884 0.1849
Trypanosoma cruzi cysteine proteinase, putative 0.0329 0.2311 0.2246
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0604 0.4406 1
Echinococcus multilocularis peroxidasin 0.0105 0.0603 0.0578
Schistosoma mansoni cathepsin F (C01 family) 0.0604 0.4406 0.4388
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0272 0.0373
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0142 0.0884 0.0854
Plasmodium falciparum serine repeat antigen 1 0.0142 0.0884 0.1849
Loa Loa (eye worm) ctsf protein 0.0604 0.4406 0.4406
Trypanosoma cruzi cysteine peptidase, putative 0.0698 0.5117 0.5075
Echinococcus multilocularis cathepsin b 0.1339 1 1
Onchocerca volvulus 0.0604 0.4406 1
Schistosoma mansoni microtubule-associated protein tau 0.0761 0.5596 0.5582
Entamoeba histolytica cysteine protease, putative 0.0329 0.2311 0.5247
Loa Loa (eye worm) hypothetical protein 0.0188 0.1233 0.1233
Schistosoma mansoni hypothetical protein 0.0187 0.1227 0.1199
Schistosoma mansoni cathepsin S (C01 family) 0.0142 0.0884 0.0854
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0603 0.0603
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0508 0.0508
Echinococcus multilocularis hypothetical protein 0.0061 0.0272 0.0247
Loa Loa (eye worm) hypothetical protein 0.0144 0.0904 0.0904
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0604 0.4406 0.4391
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.0884 0.1849
Brugia malayi Matrixin family protein 0.0051 0.0192 0.0161
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0329 0.2311 0.2287
Loa Loa (eye worm) hypothetical protein 0.0417 0.2978 0.2978
Plasmodium falciparum serine repeat antigen 5 0.0142 0.0884 0.1849
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0603 0.0603
Schistosoma mansoni pyruvate kinase 0.0037 0.0085 0.0053
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0329 0.2311 0.2287
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0142 0.0884 0.1849
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0142 0.0884 0.1849
Brugia malayi Cathepsin L-like precursor 0.0188 0.1233 0.1204
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Plasmodium vivax unspecified product 0.0188 0.1233 0.2656
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0698 0.5117 1
Schistosoma mansoni cathepsin s 0.0188 0.1233 0.1204
Trypanosoma cruzi cysteine peptidase, putative 0.0698 0.5117 0.5075
Loa Loa (eye worm) calpain 0.0061 0.0272 0.0272
Giardia lamblia Cysteine protease 0.0142 0.0884 0.2208
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0604 0.4406 1
Giardia lamblia Cathepsin L precursor 0.0142 0.0884 0.2208
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Echinococcus granulosus cathepsin L cysteine protease 0.0329 0.2311 0.2246
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0884 0.0854
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0302 0.0271
Leishmania major cathepsin L-like protease 0.0604 0.4406 0.8587
Loa Loa (eye worm) hypothetical protein 0.0105 0.0603 0.0603
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0142 0.0884 0.1849
Loa Loa (eye worm) calpain family protein 1 0.0163 0.1045 0.1045
Echinococcus multilocularis cysteine protease 0.0604 0.4406 0.4391

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 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) 3.6964 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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