Detailed information for compound 402198

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1383.37 | Formula: C61H82N12O25
  • H donors: 21 H acceptors: 18 LogP: -7.13 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@H]1O[C@H](Oc2ccc(cc2)C[C@H]2NC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)[C@H]([C@@H]2CN=C(N2)N)O)[C@H]([C@@H]2CN=C(N2[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)N)O)CO)[C@H](c2ccccc2)C)[C@H]([C@H]([C@@H]1O[C@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@@H]1O)O)c1ccccc1)O)O
  • InChi: 1S/C61H82N12O25/c1-24(26-8-4-2-5-9-26)37-53(89)67-29(16-25-12-14-28(15-13-25)93-58-47(85)44(82)49(34(22-76)95-58)98-59-48(86)45(83)50-35(96-59)23-92-57(97-50)27-10-6-3-7-11-27)52(88)71-38(40(78)30-17-65-60(62)69-30)55(91)72-39(54(90)68-31(20-74)51(87)64-19-36(77)70-37)41(79)32-18-66-61(63)73(32)56-46(84)43(81)42(80)33(21-75)94-56/h2-15,24,29-35,37-50,56-59,74-76,78-86H,16-23H2,1H3,(H2,63,66)(H,64,87)(H,67,89)(H,68,90)(H,70,77)(H,71,88)(H,72,91)(H3,62,65,69)/t24-,29+,30-,31-,32-,33+,34+,35+,37?,38-,39+,40-,41-,42+,43-,44+,45+,46-,47-,48-,49+,50+,56-,57?,58-,59+/m0/s1
  • InChiKey: CNTDWYSRJXPOGD-DAUBHWLMSA-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
Echinococcus granulosus cathepsin L cysteine proteinase 0.1098 0.5802 0.5802
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0751 0.3948 0.6804
Plasmodium vivax vivapain-2 0.1098 0.5802 1
Brugia malayi cathepsin L-like precursor 0.0752 0.3951 0.3951
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis conserved hypothetical protein 0.0244 0.1238 0.2133
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0244 0.1238 0.1238
Entamoeba histolytica protein kinase, putative 0.0022 0.0051 0.0032
Brugia malayi Papain family cysteine protease containing protein 0.059 0.3088 0.3088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Echinococcus granulosus cathepsin L 0.0244 0.1238 0.1238
Brugia malayi cathepsin Z-like cysteine proteinase 0.0244 0.1238 0.1238
Brugia malayi Papain family cysteine protease containing protein 0.1098 0.5802 0.5802
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Echinococcus multilocularis cysteine protease 0.1098 0.5802 0.5802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0244 0.1238 0.1193
Plasmodium vivax unspecified product 0.059 0.3088 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0244 0.1238 0.2133
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1238 0.1238
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1884 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.1098 0.5802 0.5802
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1238 0.1238
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0346 0.1784 0.1784
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1098 0.5802 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0751 0.3948 0.6804
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Schistosoma mansoni cathepsin F (C01 family) 0.0752 0.3951 0.3951
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0244 0.1238 0.2133
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.005 0.0087
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Giardia lamblia Cathepsin B precursor 0.0751 0.3948 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0244 0.1238 0.2088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.3088 0.5322
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Trypanosoma cruzi cysteine peptidase, putative 0.1098 0.5802 0.5802
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0019 0.0033 0.0033
Onchocerca volvulus Cathepsin L homolog 0.0244 0.1238 0.2133
Entamoeba histolytica cysteine proteinase 2 0.059 0.3088 0.5296
Echinococcus multilocularis cathepsin b 0.1884 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.059 0.3088 0.3088
Brugia malayi Papain family cysteine protease containing protein 0.059 0.3088 0.3088
Onchocerca volvulus 0.0244 0.1238 0.2133
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0051 0.0051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Loa Loa (eye worm) hypothetical protein 0.1884 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Brugia malayi fibroinase precursor 0.0244 0.1238 0.1238
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0244 0.1238 0.3135
Brugia malayi cathepsin Z-like cysteine proteinase 0.0244 0.1238 0.1238
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0752 0.3951 0.3951
Giardia lamblia Cathepsin B precursor 0.0244 0.1238 0.3135
Trypanosoma cruzi cysteine proteinase, putative 0.059 0.3088 0.3088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1098 0.5802 1
Schistosoma mansoni hypothetical protein 0.0019 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0548 0.2862 0.2862
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0022 0.005 0.0087
Onchocerca volvulus 0.1098 0.5802 1
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Giardia lamblia Cysteine protease 0.0244 0.1238 0.3135
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.059 0.3088 0.3088
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Plasmodium vivax vivapain-2 0.1098 0.5802 1
Entamoeba histolytica cysteine protease, putative 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0244 0.1238 0.2133
Entamoeba histolytica cysteine proteinase, putative 0.059 0.3088 0.5296
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1884 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0244 0.1238 0.1238
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0244 0.1238 0.2088
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0244 0.1238 0.2133
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0244 0.1238 0.2133
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0244 0.1238 0.2133
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0244 0.1238 0.3135
Giardia lamblia Cathepsin B precursor 0.0244 0.1238 0.3135
Plasmodium vivax vivapain-1 0.059 0.3088 0.4054
Giardia lamblia Cathepsin L-like protease 0.0244 0.1238 0.3135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Entamoeba histolytica hypothetical protein 0.0244 0.1238 0.2088
Onchocerca volvulus 0.1098 0.5802 1
Echinococcus multilocularis cathepsin L 0.0244 0.1238 0.1238
Entamoeba histolytica cysteine proteinase, putative 0.0752 0.3951 0.6793
Brugia malayi cathepsin L-like cysteine proteinase 0.0244 0.1238 0.1238
Toxoplasma gondii cathepsin B 0.0751 0.3948 0.5938
Brugia malayi Papain family cysteine protease containing protein 0.0244 0.1238 0.1238
Echinococcus granulosus cathepsin l cysteine peptidase 0.1098 0.5802 0.5802
Brugia malayi cathepsin L precursor 0.0244 0.1238 0.1238
Loa Loa (eye worm) ctsf protein 0.1098 0.5802 0.578
Giardia lamblia Cathepsin B precursor 0.0751 0.3948 1
Brugia malayi Cathepsin L-like precursor 0.0752 0.3951 0.3951
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0244 0.1238 0.3135
Brugia malayi Papain family cysteine protease containing protein 0.0244 0.1238 0.1238
Loa Loa (eye worm) cysteine protease 0.1098 0.5802 0.578
Plasmodium vivax unspecified product 0.0346 0.1784 0.1197
Echinococcus granulosus cysteine protease 0.059 0.3088 0.3088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.059 0.3088 0.5322
Giardia lamblia Encystation-specific protease 0.0244 0.1238 0.3135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.059 0.3088 0.5322
Schistosoma mansoni cathepsin B (C01 family) 0.0244 0.1238 0.1238
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Echinococcus multilocularis cathepsin L 0.059 0.3088 0.3088
Loa Loa (eye worm) hypothetical protein 0.0752 0.3951 0.392
Trypanosoma cruzi cruzipain precursor, putative 0.1098 0.5802 0.5802
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0244 0.1238 0.1238
Onchocerca volvulus 0.1098 0.5802 1
Leishmania major cysteine peptidase A (CPA) 0.1098 0.5802 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Echinococcus granulosus cathepsin b 0.1884 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1098 0.5802 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Giardia lamblia Cathepsin L-like protease 0.0244 0.1238 0.3135
Trypanosoma cruzi cysteine proteinase, putative 0.059 0.3088 0.3088
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0752 0.3951 0.6811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Schistosoma mansoni cathepsin S (C01 family) 0.0244 0.1238 0.1238
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Entamoeba histolytica protein kinase, putative 0.0022 0.0051 0.0032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0244 0.1238 0.1238
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0022 0.0051 0.0051
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.059 0.3088 0.3088
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1098 0.5802 0.5802
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Onchocerca volvulus Cathepsin L homolog 0.1098 0.5802 1
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0244 0.1238 0.1238
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.059 0.3088 0.3088
Loa Loa (eye worm) fibroinase 0.1098 0.5802 0.578
Mycobacterium tuberculosis Possible maturase 0.0012 0 0.5
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1098 0.5802 0.578
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1884 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trypanosoma cruzi cysteine protease, putative 0.059 0.3088 0.3088
Onchocerca volvulus Cathepsin F homolog 0.1098 0.5802 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1098 0.5802 0.5802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0244 0.1238 0.1193
Entamoeba histolytica cysteine proteinase, putative 0.1098 0.5802 1
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Plasmodium falciparum cysteine proteinase falcipain 1 0.059 0.3088 0.4054
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Schistosoma mansoni cathepsin C 0.0244 0.1238 0.1238
Echinococcus granulosus cathepsin l1 0.1098 0.5802 0.5802
Brugia malayi hypothetical protein 0.0019 0.0033 0.0033
Echinococcus granulosus cathepsin L cysteine protease 0.059 0.3088 0.3088
Trichomonas vaginalis conserved hypothetical protein 0.0244 0.1238 0.2133
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0346 0.1784 0.1784
Trypanosoma cruzi cysteine peptidase, putative 0.0346 0.1784 0.1784
Trypanosoma cruzi cysteine peptidase, putative 0.059 0.3088 0.3088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Giardia lamblia Cathepsin B precursor 0.0244 0.1238 0.3135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1098 0.5802 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0751 0.3948 0.3948
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0019 0.0033 0.0033
Schistosoma mansoni cathepsin F (C01 family) 0.1098 0.5802 0.5802
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1884 1 1
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Trypanosoma cruzi cysteine peptidase, putative 0.1098 0.5802 0.5802
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0244 0.1238 0.1238
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Giardia lamblia Hypothetical protein 0.0244 0.1238 0.3135
Giardia lamblia Cathepsin B precursor 0.0244 0.1238 0.3135
Onchocerca volvulus Cathepsin L homolog 0.1098 0.5802 1
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Loa Loa (eye worm) hypothetical protein 0.1098 0.5802 0.578
Onchocerca volvulus 0.1098 0.5802 1
Trypanosoma brucei RNA helicase, putative 0.0548 0.2862 0.4933
Schistosoma mansoni cathepsin s 0.0346 0.1784 0.1784
Onchocerca volvulus 0.1098 0.5802 1
Brugia malayi Cathepsin L-like precursor 0.0346 0.1784 0.1784
Echinococcus multilocularis cathepsin b 0.1884 1 1
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0244 0.1238 0.2133
Loa Loa (eye worm) hypothetical protein 0.0346 0.1784 0.1742
Entamoeba histolytica cysteine proteinase, putative 0.059 0.3088 0.5296
Trypanosoma cruzi cruzipain precursor, putative 0.0346 0.1784 0.1784
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0022 0.0051 0.0051
Entamoeba histolytica cysteine proteinase, putative 0.059 0.3088 0.5296
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Giardia lamblia Cathepsin L precursor 0.0244 0.1238 0.3135
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Onchocerca volvulus 0.1098 0.5802 1
Loa Loa (eye worm) cathepsin B 0.0751 0.3948 0.3917
Entamoeba histolytica cysteine proteinase, putative 0.059 0.3088 0.5296
Giardia lamblia Cathepsin B precursor 0.0751 0.3948 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1098 0.5802 0.5802
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1098 0.5802 0.578
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0244 0.1238 0.1238
Onchocerca volvulus 0.0752 0.3951 0.6811
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Brugia malayi Ribonuclease 2-5A family protein 0.0022 0.0051 0.0051
Giardia lamblia Hypothetical protein 0.0244 0.1238 0.3135
Plasmodium vivax vivapain-3 0.059 0.3088 0.4054
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0752 0.3951 0.6811
Trypanosoma cruzi cysteine peptidase, putative 0.1098 0.5802 0.5802
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0001 0.0001
Onchocerca volvulus 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0244 0.1238 0.2133
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1884 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0244 0.1238 0.1238
Plasmodium falciparum cysteine proteinase falcipain 3 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0244 0.1238 0.2133
Schistosoma mansoni cathepsin F (C01 family) 0.1098 0.5802 0.5802
Echinococcus granulosus cathepsin L 0.059 0.3088 0.3088
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Brugia malayi cathepsin F-like cysteine proteinase 0.0244 0.1238 0.1238
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1098 0.5802 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1098 0.5802 1
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Echinococcus granulosus cathepsin b 0.1884 1 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.1238 0.1193
Brugia malayi Cathepsin L-like precursor 0.0752 0.3951 0.3951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0244 0.1238 0.3135
Echinococcus multilocularis cysteine protease 0.1098 0.5802 0.5802
Giardia lamblia Cysteine protease 0.0244 0.1238 0.3135
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0244 0.1238 0.2133
Echinococcus granulosus cathepsin l1 0.0752 0.3951 0.3951
Entamoeba histolytica cysteine proteinase 1, putative 0.059 0.3088 0.5296
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Giardia lamblia Cysteine protease 0.0244 0.1238 0.3135
Entamoeba histolytica cysteine protease, putative 0.0244 0.1238 0.2088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Schistosoma mansoni transcription factor LCR-F1 0.0019 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0752 0.3951 0.392
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0751 0.3948 0.3948
Entamoeba histolytica cysteine protease, putative 0.059 0.3088 0.5296
Toxoplasma gondii cathepsin CPL 0.1098 0.5802 1
Brugia malayi Cathepsin L-like precursor 0.1098 0.5802 0.5802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0244 0.1238 0.2133
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.059 0.3088 0.5322
Leishmania major cathepsin L-like protease 0.1098 0.5802 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1098 0.5802 1
Loa Loa (eye worm) hypothetical protein 0.0752 0.3951 0.392
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0244 0.1238 0.2133
Loa Loa (eye worm) hypothetical protein 0.0346 0.1784 0.1742
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0752 0.3951 0.3951
Loa Loa (eye worm) hypothetical protein 0.0346 0.1784 0.1742
Entamoeba histolytica cysteine proteinase, putative 0.1098 0.5802 1
Giardia lamblia Cathepsin B precursor 0.0244 0.1238 0.3135
Trypanosoma cruzi major cysteine proteinase, putative 0.0244 0.1238 0.1238
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0346 0.1784 0.1742
Giardia lamblia Cysteine protease 0.0244 0.1238 0.3135
Echinococcus multilocularis cathepsin L cysteine protease 0.1098 0.5802 0.5802
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0244 0.1238 0.1193

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.19 mg kg-1 Effective dose of compound against Streptococcus aureus Smith (GC 4543) in mice ChEMBL. 15214775
ED50 (functional) = 0.39 mg kg-1 Effective dose of compound against Enterococcus faecalis (GC 6189) in mice ChEMBL. 15214775
MIC (functional) <= 0.25 ug ml-1 In vitro minimum inhibitory concentration of the compound against Streptococcus species; Range is 0.12-0.25 ug/mL ChEMBL. 15214775
MIC (functional) = 2 ug ml-1 In vitro minimum inhibitory concentration of the compound against Staphylococcus species; Range is 0.5-2 ug/mL ChEMBL. 15214775
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration of the compound against Enterococcus species; Range is 2-4 ug/mL ChEMBL. 15214775

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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