Detailed information for compound 169246

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 981.931 | Formula: C44H47N5O19S
  • H donors: 3 H acceptors: 11 LogP: 4.08 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 3
  • SMILES: COC(=O)Oc1c(cccc1C(=O)N(CC(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1)CCCN(C(=O)c1cccc(c1OC(=O)OC)OC(=O)OC)C)OC(=O)OC
  • InChi: 1S/C44H47N5O19S/c1-44(2)33(39(55)56)49-37(54)30(38(49)69-44)46-34(51)29(23-14-9-8-10-15-23)45-28(50)22-48(36(53)25-17-12-19-27(66-41(58)62-5)32(25)68-43(60)64-7)21-13-20-47(3)35(52)24-16-11-18-26(65-40(57)61-4)31(24)67-42(59)63-6/h8-12,14-19,29-30,33,38H,13,20-22H2,1-7H3,(H,45,50)(H,46,51)(H,55,56)
  • InChiKey: KTXGACXSTRPXFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0715 0.1739
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0017 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0297 0.0319
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Schistosoma mansoni cathepsin F (C01 family) 0.0056 0.1329 0.1329
Onchocerca volvulus Cathepsin F homolog 0.0056 0.1329 0.4011
Loa Loa (eye worm) hypothetical protein 0.0015 0.0241 0.0246
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Echinococcus multilocularis cathepsin L 0.0033 0.0715 0.0715
Echinococcus multilocularis cathepsin L cysteine protease 0.0056 0.1329 0.1329
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0715 0.0715
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.1329 0.1388
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Onchocerca volvulus 0.0056 0.1329 0.4011
Onchocerca volvulus Huntingtin homolog 0.0112 0.2871 1
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Loa Loa (eye worm) hypothetical protein 0.0015 0.0241 0.0246
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.1329 0.1388
Echinococcus granulosus geminin 0.0155 0.4039 0.4039
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0297 0.0319
Echinococcus granulosus cathepsin l1 0.004 0.0911 0.0911
Echinococcus multilocularis cathepsin b 0.0304 0.8078 0.8078
Echinococcus granulosus cathepsin b 0.0304 0.8078 0.8078
Brugia malayi Cathepsin L-like cysteine proteinase 0.004 0.0911 0.1082
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0013 0.0182 0.0172
Entamoeba histolytica cysteine proteinase 2 0.0033 0.0715 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0017 0.0297 0.0071
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0493 0.056
Brugia malayi hypothetical protein 0.0112 0.2871 0.3521
Loa Loa (eye worm) hypothetical protein 0.0217 0.5706 0.7048
Echinococcus granulosus intermediate filament protein 0.0025 0.0493 0.0493
Toxoplasma gondii histone lysine methyltransferase SET1 0.005 0.1176 0.3655
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0718 0.0718
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0297 0.0297
Onchocerca volvulus Cathepsin L homolog 0.0056 0.1329 0.4011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0106 0.2703 0.2703
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0715 0.0839
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0017 0.0297 0.0512
Entamoeba histolytica hypothetical protein 0.0033 0.0718 0.4077
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Schistosoma mansoni hypothetical protein 0.0155 0.4039 0.4039
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0056 0.1329 1
Onchocerca volvulus 0.0025 0.0493 0.0764
Toxoplasma gondii cathepsin CPL 0.0056 0.1329 0.429
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.0961 0.1145
Onchocerca volvulus 0.0026 0.0537 0.0934
Plasmodium vivax vivapain-2 0.0056 0.1329 1
Entamoeba histolytica hypothetical protein 0.0033 0.0718 0.4077
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0297 0.0512
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0106 0.2703 0.3142
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0017 0.0297 0.0512
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0012 0.0146 0.0146
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0537 0.0614
Giardia lamblia Cathepsin B precursor 0.0106 0.2703 1
Onchocerca volvulus 0.0044 0.1023 0.282
Schistosoma mansoni cpg binding protein 0.0028 0.0578 0.0578
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0297 0.0512
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0297 0.0319
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0297 0.0319
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0015 0.0241 0.0246
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0056 0.1329 0.1329
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0017 0.0297 0.0512
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0015 0.0241 0.0249
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0056 0.1329 1
Onchocerca volvulus 0.0056 0.1329 0.4011
Echinococcus multilocularis cpg binding protein 0.0028 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0911 0.2551
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Echinococcus multilocularis cathepsin b 0.0304 0.8078 0.8078
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0106 0.2703 1
Schistosoma mansoni cathepsin S (C01 family) 0.0017 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Onchocerca volvulus 0.0056 0.1329 0.4011
Schistosoma mansoni cpg binding protein 0.0026 0.0537 0.0537
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0715 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.004 0.0911 0.5946
Loa Loa (eye worm) hypothetical protein 0.0112 0.2871 0.3519
Loa Loa (eye worm) hypothetical protein 0.0025 0.0493 0.056
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Onchocerca volvulus Huntingtin homolog 0.0112 0.2871 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0297 0.0297
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0297 0.0319
Schistosoma mansoni survival motor neuron protein 0.0044 0.1023 0.1023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0304 0.8078 0.8078
Schistosoma mansoni cathepsin F (C01 family) 0.0056 0.1329 0.1329
Plasmodium falciparum cysteine proteinase falcipain 3 0.0056 0.1329 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.8078 0.8078
Loa Loa (eye worm) hypothetical protein 0.004 0.0911 0.1079
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0297 0.0315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0961 0.0961
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Plasmodium vivax unspecified product 0.0033 0.0715 0.4359
Schistosoma mansoni hypothetical protein 0.0033 0.0718 0.0718
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0715 0.4054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0012 0.0146 0.0146
Entamoeba histolytica hypothetical protein 0.0033 0.0718 0.4077
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0715 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.0715 0.0605
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Giardia lamblia Cathepsin B precursor 0.0106 0.2703 1
Brugia malayi CXXC zinc finger family protein 0.0026 0.0537 0.0618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Loa Loa (eye worm) hypothetical protein 0.0024 0.0481 0.0545
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Brugia malayi Cathepsin L-like precursor 0.004 0.0911 0.1082
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0911 0.2551
Echinococcus multilocularis geminin 0.0155 0.4039 0.4039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0012 0.0146 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.004 0.0911 0.1079
Brugia malayi cathepsin L-like precursor 0.004 0.0911 0.1082
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.0715 0.0605
Schistosoma mansoni cathepsin C 0.0017 0.0297 0.0297
Brugia malayi cathepsin F-like cysteine proteinase 0.0015 0.0241 0.0249
Brugia malayi fibroinase precursor 0.0017 0.0297 0.0319
Loa Loa (eye worm) hypothetical protein 0.004 0.0911 0.1079
Schistosoma mansoni hypothetical protein 0.0375 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0493 0.0563
Echinococcus multilocularis dnaJ subfamily B 0.0375 1 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0017 0.0297 0.0512
Plasmodium vivax vivapain-3 0.0033 0.0715 0.4359
Echinococcus granulosus cathepsin L 0.0033 0.0715 0.0715
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0056 0.1329 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Echinococcus granulosus cpg binding protein 0.0028 0.0578 0.0578
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0044 0.1023 0.1222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0011 0.0134 0.0113
Echinococcus multilocularis lamin dm0 0.0025 0.0493 0.0493
Plasmodium vivax vivapain-1 0.0033 0.0715 0.4359
Brugia malayi hypothetical protein 0.0217 0.5706 0.7049
Toxoplasma gondii cathepsin B 0.0106 0.2703 1
Echinococcus granulosus cathepsin l1 0.0056 0.1329 0.1329
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Onchocerca volvulus 0.0056 0.1329 0.4011
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0715 0.0839
Plasmodium falciparum cysteine proteinase falcipain 1 0.0033 0.0715 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Echinococcus granulosus lamin dm0 0.0025 0.0493 0.0493
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0017 0.0297 0.0512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0715 0.4054
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0017 0.0297 0.0315
Entamoeba histolytica cysteine protease, putative 0.0056 0.1329 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Schistosoma mansoni cpg binding protein 0.0028 0.0578 0.0578
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0056 0.1329 0.16
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Loa Loa (eye worm) cysteine protease 0.0056 0.1329 0.16
Schistosoma mansoni lamin 0.0025 0.0493 0.0493
Schistosoma mansoni cathepsin s 0.0015 0.0241 0.0241
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0056 0.1329 0.1329
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.1329 0.1388
Entamoeba histolytica cysteine proteinase, putative 0.0056 0.1329 1
Onchocerca volvulus Cathepsin L homolog 0.0056 0.1329 0.4011
Plasmodium vivax unspecified product 0.0017 0.0297 0.0512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0017 0.0297 0.0512
Onchocerca volvulus 0.0025 0.0493 0.0764
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Schistosoma mansoni hypothetical protein 0.0044 0.1023 0.1023
Loa Loa (eye worm) cathepsin B 0.0106 0.2703 0.331
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.0015 0.0241 0.0246
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0017 0.0297 0.0319
Echinococcus multilocularis musashi 0.0025 0.0493 0.0493
Onchocerca volvulus 0.0056 0.1329 0.4011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0297 0.0297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0056 0.1329 0.429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0304 0.8078 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.004 0.0911 0.0854
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0106 0.2703 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Echinococcus granulosus lamin 0.0025 0.0493 0.0493
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0297 0.0297
Onchocerca volvulus 0.0056 0.1329 0.4011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0715 0.1739
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0056 0.1338 0.1338
Echinococcus multilocularis cathepsin L cysteine protease 0.0056 0.1329 0.1329
Brugia malayi Cathepsin L-like precursor 0.004 0.0911 0.1082
Brugia malayi cathepsin L precursor 0.0017 0.0297 0.0319
Echinococcus granulosus cathepsin L 0.0017 0.0297 0.0297
Trypanosoma cruzi major cysteine proteinase, putative 0.0017 0.0297 0.0071
Entamoeba histolytica hypothetical protein 0.0033 0.0718 0.4077
Echinococcus multilocularis survival motor neuron protein 1 0.0217 0.5706 0.5706
Echinococcus multilocularis lamin 0.0025 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0056 0.1329 0.16
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0297 0.0512
Entamoeba histolytica cysteine protease, putative 0.0033 0.0715 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0033 0.0715 0.0715
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0297 0.0297
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0718 0.0718
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.8078 0.8078
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.8078 0.8078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0961 0.0961
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.1329 0.1388
Brugia malayi cytoplasmic intermediate filament protein 0.0013 0.0182 0.0176
Trypanosoma cruzi cysteine protease, putative 0.0033 0.0715 0.0605
Onchocerca volvulus 0.004 0.0911 0.2385
Loa Loa (eye worm) fibroinase 0.0056 0.1329 0.16
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.0961 0.1141
Echinococcus granulosus cathepsin b 0.0304 0.8078 0.8078
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0715 0.0715
Echinococcus multilocularis cathepsin L 0.0017 0.0297 0.0297
Trypanosoma cruzi cruzipain precursor, putative 0.0056 0.1329 0.1388
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0017 0.0297 0.0297
Loa Loa (eye worm) hypothetical protein 0.0112 0.2871 0.3519
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0297 0.0297
Schistosoma mansoni cathepsin F (C01 family) 0.004 0.0911 0.0911
Echinococcus multilocularis cysteine protease 0.0056 0.1329 0.1329
Loa Loa (eye worm) ctsf protein 0.0056 0.1329 0.16
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.1329 0.3088
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.0715 0.0605
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0017 0.0297 0.0512
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0297 0.0315
Echinococcus granulosus cathepsin l cysteine peptidase 0.0056 0.1329 0.1329
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0056 0.1329 0.429
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Brugia malayi intermediate filament protein 0.0025 0.0493 0.0563
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0044 0.0044
Trypanosoma brucei cysteine peptidase C (CPC) 0.0106 0.2703 1
Giardia lamblia Cathepsin B precursor 0.0106 0.2703 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0017 0.0297 0.0319
Loa Loa (eye worm) hypothetical protein 0.0304 0.8078 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0961 0.0961
Echinococcus multilocularis cysteine protease 0.0056 0.1329 0.1329
Echinococcus granulosus survival motor neuron protein 1 0.0217 0.5706 0.5706
Entamoeba histolytica cysteine proteinase 1, putative 0.0033 0.0715 0.4054
Schistosoma mansoni lamin 0.0025 0.0493 0.0493
Plasmodium vivax vivapain-2 0.0056 0.1329 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0033 0.0715 0.0605
Schistosoma mansoni cathepsin B (C01 family) 0.0017 0.0297 0.0297
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0044 0.0044
Brugia malayi Cathepsin L-like precursor 0.0015 0.0241 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0961 0.0961
Brugia malayi Papain family cysteine protease containing protein 0.0056 0.1329 0.1603
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0056 0.1329 0.16
Schistosoma mansoni intermediate filament proteins 0.0025 0.0493 0.0493
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0718 0.0718
Brugia malayi Cathepsin L-like precursor 0.0056 0.1329 0.1603
Onchocerca volvulus 0.0056 0.1329 0.4011
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0297 0.0512
Loa Loa (eye worm) hypothetical protein 0.0017 0.0297 0.0315
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0017 0.0297 0.0512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1329 0.429
Brugia malayi cathepsin B-like cysteine proteinase 0.0304 0.8078 1
Brugia malayi hypothetical protein 0.0033 0.0718 0.0842
Loa Loa (eye worm) hypothetical protein 0.0011 0.0134 0.0113
Schistosoma mansoni hypothetical protein 0.0155 0.4039 0.4039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.1329 0.429
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0493 0.056
Echinococcus granulosus cathepsin L cysteine proteinase 0.0056 0.1329 0.1329
Brugia malayi cathepsin F-like cysteine proteinase 0.0017 0.0297 0.0319
Echinococcus granulosus cysteine protease 0.0033 0.0715 0.0715

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.005 mg l-1 In vitro antibacterial activity against ATCC 100331 strain of K. pneumoniae ChEMBL. 12086488
MIC (functional) = 0.02 mg l-1 In vitro antibacterial activity against ATCC 25922 strain of E. coli ChEMBL. 12086488
MIC (functional) = 0.02 mg l-1 In vitro antibacterial activity against SG 621 strain of S. marcescens ChEMBL. 12086488
MIC (functional) = 0.02 mg l-1 In vitro antibacterial activity against ATCC 25922 strain of E. coli ChEMBL. 12086488
MIC (functional) = 0.04 mg l-1 In vitro antibacterial activity against SG 137 strain of P. aeruginosa ChEMBL. 12086488
MIC (functional) = 0.08 mg l-1 In vitro antibacterial activity against GN 12873 strain of S. maltophilia ChEMBL. 12086488
MIC (functional) = 0.31 mg l-1 In vitro antibacterial activity against ATCC 27853 strain of P. aeruginosa ChEMBL. 12086488
MIC (functional) = 5 mg l-1 In vitro antibacterial activity against SG 511 strain of S. aureus ChEMBL. 12086488
Zone of inhibition (functional) = 12.5 mM Influence of siderophre receptor on antibacterial activity in E. coli (H1876) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 12.5 mM Influence of siderophre receptor on antibacterial activity in E. coli (H1876) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 14.5 mM Influence of porins and TonB on antibacterial activity in E. coli (BR158) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 14.5 mM Influence of porins and TonB on antibacterial activity in E. coli (BR158) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 26 mM Influence of siderophore receptor on antibacterial activity in E. coli (1875) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 26 mM Influence of siderophore receptor on antibacterial activity in E. coli (1875) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 27.5 mM Influence of siderophore receptor on antibacterial activity in E. coli (H1877) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 27.5 mM Influence of siderophore receptor on antibacterial activity in E. coli (H1877) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 28.5 mM Influence of porins and TonB on antibacterial activity in E. coli (KB5) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 28.5 mM Influence of porins and TonB on antibacterial activity in E. coli (KB5) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30 mM Influence of siderophre receptor on antibacterial activity in E. coli (H1443) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30 mM Influence of siderophre receptor on antibacterial activity in E. coli (H873) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30 mM Influence of siderophre receptor on antibacterial activity in E. coli (H1443) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30 mM Influence of siderophre receptor on antibacterial activity in E. coli (H873) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30.5 mM Influence of porins and TonB on antibacterial activity in E. coli (KB4) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 30.5 mM Influence of porins and TonB on antibacterial activity in E. coli (KB4) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 31.5 mM Influence of porins and TonB on antibacterial activity in E. coli (AB2847) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 31.5 mM Influence of porins and TonB on antibacterial activity in E. coli (AB2847) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 33 mM Influence of porins and TonB on antibacterial activity in E. coli (PLB268) using agar diffusion assay ChEMBL. 12086488
Zone of inhibition (functional) = 33 mM Influence of porins and TonB on antibacterial activity in E. coli (PLB268) using agar diffusion assay ChEMBL. 12086488

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

1 literature reference was collected for this gene.

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