Detailed information for compound 1101684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 700.761 | Formula: C34H48F4N4O7
  • H donors: 4 H acceptors: 6 LogP: 6.95 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC(C[C@@H](C(=O)NCCc1c(F)cc(cc1F)C(=O)O)NC(=O)[C@H]1CC(CN1C(=O)[C@H](C(C)C)NC(=O)OCC(C)C)C1CCCCC1)F
  • InChi: 1S/C34H48F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22?,26-,27+,29-/m0/s1
  • InChiKey: UCOUPAPCCRXGDZ-CIHTZBNNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus serine protease, NS3/NS4A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei hypothetical protein, conserved Hepatitis C virus serine protease, NS3/NS4A   54 aa 55 aa 30.9 %
Mycobacterium tuberculosis Membrane-associated phospholipase C 2 PlcB Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 32.7 %
Schistosoma japonicum expressed protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 29.5 %
Schistosoma mansoni hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 29.5 %
Leishmania braziliensis hypothetical protein, conserved Hepatitis C virus serine protease, NS3/NS4A   54 aa 46 aa 26.1 %
Trypanosoma brucei expression site-associated gene 3 (ESAG3)-like protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 28.6 %
Toxoplasma gondii hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 50 aa 28.0 %
Echinococcus granulosus 60S ribosomal protein L8 Hepatitis C virus serine protease, NS3/NS4A   54 aa 48 aa 33.3 %
Entamoeba histolytica hypothetical protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 52 aa 23.1 %
Mycobacterium ulcerans Maf-like protein Hepatitis C virus serine protease, NS3/NS4A   54 aa 44 aa 38.6 %
Trypanosoma congolense WD40 repeats, putative Hepatitis C virus serine protease, NS3/NS4A   54 aa 46 aa 28.3 %
Trypanosoma brucei gambiense expression site-associated gene 3 (ESAG3)-like protein, putative Hepatitis C virus serine protease, NS3/NS4A   54 aa 49 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.002 0.0151
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0009 0.0018
Mycobacterium ulcerans AcrR family transcriptional regulator 0.279 0.4984 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0149 0.0215 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0052 0.0044
Loa Loa (eye worm) cysteine protease 0.0052 0.0039 0.0068
Echinococcus multilocularis dihydrofolate reductase 0.2579 0.4602 0.4597
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0048 0.004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0138 0.0131
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0052 0.0044
Toxoplasma gondii ABC1 family protein 0.0107 0.0138 0.0657
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0052 0.0039 0.0068
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0039 0.0395
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Entamoeba histolytica cysteine protease, putative 0.0052 0.0039 0.1155
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0099 0.0199
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.0219
Leishmania major cathepsin L-like protease 0.0198 0.0303 0.1494
Schistosoma mansoni microtubule-associated protein tau 0.5567 1 1
Schistosoma mansoni survival motor neuron protein 0.0247 0.0392 0.0384
Loa Loa (eye worm) hypothetical protein 0.0121 0.0163 0.0339
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0138 0.1659
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.0163 0.031
Trypanosoma cruzi cysteine peptidase, putative 0.0198 0.0303 0.1494
Brugia malayi CHE-14 protein 0.0041 0.002 0.0026
Brugia malayi beta-lactamase 0.0107 0.0138 0.0284
Plasmodium vivax vivapain-2 0.0052 0.0039 0.0151
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0036 0.0009 0.0003
Entamoeba histolytica acyl-coA synthetase, putative 0.0121 0.0163 0.5792
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1585 0.2807 0.28
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0121 0.0163 0.031
Mycobacterium ulcerans fatty-acid-CoA ligase 0.009 0.0108 0.0199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Schistosoma mansoni cellular tumor antigen P53 0.02 0.0306 0.0298
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Trichomonas vaginalis esterase, putative 0.0107 0.0138 0.1659
Brugia malayi dihydrofolate reductase family protein 0.2579 0.4602 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0121 0.0163 0.031
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.0039 0.0151
Schistosoma mansoni tyrosine kinase 0.0316 0.0516 0.0508
Schistosoma mansoni hypothetical protein 0.0247 0.0392 0.0384
Leishmania major cysteine peptidase A (CPA) 0.0052 0.0039 0.0151
Echinococcus multilocularis epidermal growth factor receptor 0.0477 0.0807 0.0799
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0052 0.0044
Loa Loa (eye worm) oxidoreductase 0.0036 0.0009 0.0003
Brugia malayi Furin-like cysteine rich region family protein 0.0477 0.0807 0.1739
Mycobacterium ulcerans transcriptional regulator 0.279 0.4984 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0082 0.0373
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0036 0.0009 0.0003
Leishmania major cathepsin L-like protease 0.0052 0.0039 0.0151
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Leishmania major cathepsin L-like protease 0.0052 0.0039 0.0151
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0194 0.0186
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0099 0.0199
Echinococcus granulosus Protein patched homolog 1 0.0041 0.002 0.0012
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0036 0.0009 0.0018
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0052 0.0044
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0039 0.0031
Schistosoma mansoni tyrosine kinase 0.0149 0.0215 0.0207
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0052 0.0218
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0082 0.0147
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0165 0.0342
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0003
Leishmania major cathepsin L-like protease 0.0198 0.0303 0.1494
Schistosoma mansoni tyrosine kinase 0.0149 0.0215 0.0207
Entamoeba histolytica acyl-CoA synthetase, putative 0.0121 0.0163 0.5792
Echinococcus multilocularis insulin receptor 0.0149 0.0215 0.0206
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0138 0.0657
Mycobacterium ulcerans thymidylate synthase 0.0111 0.0145 0.0273
Loa Loa (eye worm) hypothetical protein 0.0076 0.0082 0.0162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.002 0.0026
Schistosoma mansoni tyrosine kinase 0.0318 0.0519 0.0512
Schistosoma mansoni hypothetical protein 0.004 0.0017 0.0009
Loa Loa (eye worm) TK/EGFR protein kinase 0.0477 0.0807 0.1739
Echinococcus granulosus dihydrofolate reductase 0.2579 0.4602 0.4598
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Echinococcus multilocularis survival motor neuron protein 1 0.1213 0.2135 0.2128
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0111 0.0145 0.0137
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0121 0.0163 0.031
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0039 0.1155
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0121 0.0163 0.0328
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0039 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0099 0.0199
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0035 0.0026
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0138 0.026
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0039 0.003
Brugia malayi Pre-SET motif family protein 0.0059 0.0052 0.0096
Onchocerca volvulus 0.0052 0.0039 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0138 0.0657
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0119 0.4143
Brugia malayi AMP-binding enzyme family protein 0.0121 0.0163 0.0339
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.0219
Loa Loa (eye worm) thymidylate synthase 0.0111 0.0145 0.0299
Entamoeba histolytica hypothetical protein 0.0184 0.0277 1
Mycobacterium ulcerans lipase LipD 0.0107 0.0138 0.026
Plasmodium vivax SET domain protein, putative 0.0059 0.0052 0.0218
Echinococcus multilocularis microtubule associated protein 2 0.5567 1 1
Schistosoma mansoni tyrosine kinase 0.0316 0.0516 0.0508
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0082 0.5
Schistosoma mansoni tyrosine kinase 0.0316 0.0516 0.0508
Onchocerca volvulus 0.0036 0.0009 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Leishmania major cathepsin L-like protease 0.0052 0.0039 0.0151
Onchocerca volvulus 0.0059 0.0052 0.0562
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0003
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0149 0.0215 0.0207
Brugia malayi Dihydrofolate reductase 0.2579 0.4602 1
Echinococcus granulosus epidermal growth factor receptor 0.0318 0.0519 0.0512
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0035 0.007
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0138 0.0284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1125 0.1976 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0036 0.0009 0.0018
Brugia malayi Probable ClpP-like protease 0.0076 0.0082 0.0162
Onchocerca volvulus 0.0111 0.0145 0.1745
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.0219
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Brugia malayi AMP-binding enzyme family protein 0.0121 0.0163 0.0339
Plasmodium vivax acyl-CoA synthetase, putative 0.009 0.0108 0.0504
Onchocerca volvulus Cathepsin F homolog 0.0052 0.0039 0.0395
Echinococcus multilocularis protein dispatched 1 0.0047 0.003 0.0021
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0039 0.1155
Echinococcus multilocularis cysteine protease 0.0052 0.0039 0.003
Trypanosoma cruzi cysteine peptidase, putative 0.0198 0.0303 0.1494
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Loa Loa (eye worm) beta-lactamase 0.0107 0.0138 0.0284
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0318 0.0519 0.0512
Echinococcus multilocularis expressed conserved protein 0.0091 0.0108 0.01
Loa Loa (eye worm) ctsf protein 0.0052 0.0039 0.0068
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0082 0.0147
Trypanosoma cruzi cruzipain precursor, putative 0.0198 0.0303 0.1494
Echinococcus granulosus survival motor neuron protein 1 0.1213 0.2135 0.2129
Onchocerca volvulus 0.0107 0.0138 0.1659
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0009 0.0018
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0194 0.0185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium ulcerans hypothetical protein 0.0107 0.0138 0.026
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Onchocerca volvulus 0.0052 0.0039 0.0395
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0082 0.0075
Loa Loa (eye worm) fibroinase 0.0052 0.0039 0.0068
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0138 0.0284
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0036 0.0009 0.0018
Onchocerca volvulus 0.0052 0.0039 0.0395
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Brugia malayi hypothetical protein 0.0053 0.004 0.007
Mycobacterium leprae Probable lipase LipE 0.0107 0.0138 0.026
Entamoeba histolytica acyl-CoA synthetase, putative 0.0121 0.0163 0.5792
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0119 0.0111
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.002 0.0011
Onchocerca volvulus 0.0052 0.0039 0.0395
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.0039 0.0068
Brugia malayi Pre-SET motif family protein 0.0413 0.0691 0.1488
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0082 0.0073
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0119 0.0242
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0122 0.0114
Brugia malayi AMP-binding enzyme family protein 0.0121 0.0163 0.0339
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0009 0.0018
Mycobacterium tuberculosis Conserved protein 0.0107 0.0138 0.0277
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0121 0.0163 0.031
Echinococcus granulosus tumor protein p63 0.1365 0.241 0.2404
Onchocerca volvulus 0.0471 0.0795 1
Schistosoma mansoni dihydrofolate reductase 0.2579 0.4602 0.4598
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2579 0.4602 0.9233
Echinococcus granulosus insulin receptor 0.0149 0.0215 0.0207
Brugia malayi Protein kinase domain containing protein 0.0149 0.0215 0.0451
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0099 0.0199
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0165 0.0342
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0138 0.026
Onchocerca volvulus 0.0107 0.0138 0.1659
Entamoeba histolytica hypothetical protein 0.0184 0.0277 1
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0039 0.0068
Leishmania major cathepsin L-like protease 0.0052 0.0039 0.0151
Onchocerca volvulus 0.0052 0.0039 0.0395
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0181 0.0272 0.1336
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0039 0.0031
Echinococcus multilocularis epidermal growth factor receptor 0.0318 0.0519 0.0511
Schistosoma mansoni hypothetical protein 0.0184 0.0277 0.0269
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.0219
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.002 0.0012
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.0163 0.0785
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0039 0.0395
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0247 0.0392 0.0836
Loa Loa (eye worm) hypothetical protein 0.0121 0.0163 0.0339
Echinococcus multilocularis protein patched 0.0041 0.002 0.0011
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.0039 0.0151
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0138 0.0131
Onchocerca volvulus 0.0052 0.0039 0.0395
Trypanosoma cruzi major cysteine proteinase, putative 0.0156 0.0226 0.1104
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Onchocerca volvulus 0.0036 0.0009 0.0017
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2579 0.4602 0.9232
Echinococcus granulosus epidermal growth factor receptor 0.0477 0.0807 0.08
Echinococcus multilocularis 0.024 0.0378 0.0369
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0111 0.0145 0.0273
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.0039 0.0031
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0184 0.0277 0.0268
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0036 0.0009 0.0048
Entamoeba histolytica hypothetical protein 0.0184 0.0277 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0121 0.0163 0.031
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0052 0.0043
Trichomonas vaginalis set domain proteins, putative 0.0471 0.0795 1
Trypanosoma cruzi cysteine peptidase, putative 0.0198 0.0303 0.1494
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.0163 0.031
Schistosoma mansoni transcription factor LCR-F1 0.0184 0.0277 0.0269
Loa Loa (eye worm) hypothetical protein 0.1213 0.2135 0.4631
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0111 0.0145 0.0291
Echinococcus granulosus thymidylate synthase 0.0111 0.0145 0.0137
Loa Loa (eye worm) hypothetical protein 0.0051 0.0036 0.0063
Schistosoma mansoni patched 1 0.0041 0.002 0.0012
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.0163 0.0785
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.0039 0.003
Brugia malayi hypothetical protein 0.0184 0.0277 0.0585
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0138 0.0131
Echinococcus granulosus expressed conserved protein 0.0091 0.0108 0.0101
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.0163 0.031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0138 0.1659
Onchocerca volvulus 0.0052 0.0039 0.0395
Loa Loa (eye worm) hypothetical protein 0.0041 0.002 0.0026
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.009 0.0108 0.0057
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Loa Loa (eye worm) hypothetical protein 0.0097 0.0119 0.0242
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0119 0.011
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0138 0.0277
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.004 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.004 0.0411
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.0039 0.003
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0082 0.0147
Schistosoma mansoni hypothetical protein 0.004 0.0017 0.0009
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Chlamydia trachomatis dihydrofolate reductase 0.2579 0.4602 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0138 0.0277
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0138 0.1659
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0053 0.004 0.0158
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0684 0.1181 0.2369
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.0039 0.0031
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0121 0.0163 0.031
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0138 0.0277
Schistosoma mansoni acetyl-CoA synthetase 0.0036 0.0009 0.0001
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Entamoeba histolytica hypothetical protein 0.0184 0.0277 1
Mycobacterium ulcerans TetR family transcriptional regulator 0.279 0.4984 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.0219
Onchocerca volvulus 0.0036 0.0009 0.0017
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0138 0.0277
Brugia malayi thymidylate synthase 0.0111 0.0145 0.0299
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0035 0.007
Plasmodium falciparum acyl-CoA synthetase 0.009 0.0108 0.0504
Brugia malayi MH2 domain containing protein 0.0122 0.0165 0.0342
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1125 0.1976 1
Plasmodium vivax vivapain-2 0.0052 0.0039 0.0151
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0138 0.0277
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0138 0.0277
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0138 0.0657
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0009 0.0017
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0035 0.0027
Onchocerca volvulus 0.0107 0.0138 0.1659
Leishmania major cathepsin L-like protease 0.0198 0.0303 0.1494
Mycobacterium ulcerans hypothetical protein 0.0121 0.0163 0.031
Mycobacterium tuberculosis Conserved protein 0.0107 0.0138 0.0277
Onchocerca volvulus 0.02 0.0306 0.3786
Schistosoma mansoni tyrosine kinase 0.0477 0.0807 0.08
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Leishmania major cathepsin L-like protease 0.0052 0.0039 0.0151
Schistosoma mansoni hypothetical protein 0.004 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0121 0.0163 0.0339
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0036 0.0009 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Loa Loa (eye worm) dihydrofolate reductase 0.2579 0.4602 1
Onchocerca volvulus 0.0036 0.0009 0.0017
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0036 0.0009 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0138 0.1659
Echinococcus multilocularis thymidylate synthase 0.0111 0.0145 0.0136
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.279 0.4984 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0052 0.0096
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0052 0.0043
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.279 0.4984 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0036 0.0009 0.0001
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Toxoplasma gondii cathepsin CPL 0.0052 0.0039 0.0151
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Onchocerca volvulus Cathepsin L homolog 0.0052 0.0039 0.0395
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0009 0.0003
Mycobacterium tuberculosis Conserved protein 0.0107 0.0138 0.0277
Brugia malayi beta-lactamase family protein 0.0107 0.0138 0.0284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0036 0.0009 0.0018
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0413 0.0691 0.1488
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.0039 0.0068
Onchocerca volvulus 0.0121 0.0163 0.1979
Echinococcus multilocularis tumor protein p63 0.1365 0.241 0.2403
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0009 0.0017
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.0039 0.0151
Brugia malayi beta-lactamase family protein 0.0107 0.0138 0.0284
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1125 0.1976 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0082 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.0163 0.0785
Brugia malayi hypothetical protein 0.1213 0.2135 0.4631
Echinococcus granulosus cathepsin l1 0.0052 0.0039 0.0031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0121 0.0163 0.0328
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0082 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1125 0.1976 1
Echinococcus multilocularis cysteine protease 0.0052 0.0039 0.003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.0039 0.0395
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1125 0.1976 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Mycobacterium ulcerans beta-lactamase 0.0107 0.0138 0.026
Leishmania major hypothetical protein, conserved 0.0107 0.0138 0.0657
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0184 0.0277 0.0269
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2579 0.4602 0.9232
Loa Loa (eye worm) hypothetical protein 0.0107 0.0138 0.0284
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0082 0.0373
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0039 0.0151
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0138 0.0657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0052 0.0044
Brugia malayi Cathepsin L-like precursor 0.0052 0.0039 0.0068
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.009 0.0108 0.0217
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0082 0.0373
Schistosoma mansoni hypothetical protein 0.004 0.0017 0.0009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0198 0.0303 0.1494
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0036 0.0009 0.0018
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0082 0.0373
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0138 0.1659
Loa Loa (eye worm) TK/INSR protein kinase 0.0149 0.0215 0.0451
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0138 0.0277
Loa Loa (eye worm) hypothetical protein 0.02 0.0306 0.0648
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0138 0.026
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.0039 0.0395
Onchocerca volvulus 0.0247 0.0392 0.4879
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1125 0.1976 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0138 0.0129
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0035 0.0052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0039 0.0395
Schistosoma mansoni tyrosine kinase 0.0318 0.0519 0.0512

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.35 uM Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease ChEMBL. 15357995

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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