Detailed information for compound 408640

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1575.7 | Formula: C69H70N14O20S5
  • H donors: 12 H acceptors: 20 LogP: 4.9 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 4
  • SMILES: CO/C(=C\1/NC(=O)[C@@H](NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@H]2NC(=O)c3nc([C@@H](NC(=O)c4nc1sc4)[C@@H]1OCc4c(C(=O)OC2)n(c2c4c(COC(=O)[C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)O)N(C)C)ccc2)O)sc3)c1scc(n1)C(=O)N[C@H](C(=O)NCCc1cc(O)cc(c1)O)C)[C@H](O)C)/C
  • InChi: 1S/C69H70N14O20S5/c1-27(56(88)70-13-12-31-14-33(85)16-34(86)15-31)71-57(89)39-24-107-65(76-39)50-44(87)17-35-49(78-50)38-22-105-63(73-38)37-21-101-67(94)52-36-20-99-53(54(103-45-18-69(5,96)55(82(6)7)30(4)102-45)68(95)100-19-32-10-9-11-43(46(32)36)83(52)97)51(66-77-40(25-108-66)58(90)72-37)81-60(92)42-26-106-64(75-42)48(29(3)98-8)80-61(93)47(28(2)84)79-59(91)41-23-104-62(35)74-41/h9-11,14-17,22-28,30,37,45,47,51,53-55,84-87,96-97H,12-13,18-21H2,1-8H3,(H,70,88)(H,71,89)(H,72,90)(H,79,91)(H,80,93)(H,81,92)/b48-29+/t27-,28+,30-,37-,45-,47-,51-,53-,54-,55+,69-/m0/s1
  • InChiKey: LQVRYJXZMGRNNG-QKIKATNJSA-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 0.0128 0.1524 0.1438
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0128 0.1524 0.1438
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0128 0.1524 0.1534
Echinococcus multilocularis cysteine protease 0.0694 0.9933 0.9932
Giardia lamblia Cysteine protease 0.0128 0.1524 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0694 0.9933 1
Entamoeba histolytica cysteine proteinase, putative 0.0358 0.4933 0.4909
Entamoeba histolytica cysteine proteinase, putative 0.0358 0.4933 0.4909
Loa Loa (eye worm) hypothetical protein 0.0465 0.6524 0.6568
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0109 0.1236 0.1245
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0128 0.1524 0.1534
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0694 0.9933 0.9932
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.0871 0.0757
Plasmodium vivax serine-repeat antigen (SERA) 0.0128 0.1524 0.1534
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0128 0.1524 0.1438
Plasmodium falciparum serine repeat antigen 4 0.0128 0.1524 0.1534
Echinococcus multilocularis microtubule associated protein 2 0.0699 1 1
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0128 0.1524 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0128 0.1524 0.1534
Trypanosoma cruzi cysteine proteinase, putative 0.0358 0.4933 0.4966
Entamoeba histolytica cysteine proteinase, putative 0.0358 0.4933 0.4909
Giardia lamblia Encystation-specific protease 0.0128 0.1524 0.5
Echinococcus granulosus cathepsin l1 0.0465 0.6524 0.648
Echinococcus granulosus cathepsin b 0.0128 0.1524 0.1418
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Mycobacterium tuberculosis Possible toxin MazF5 0.0135 0.1627 0.5
Echinococcus granulosus cathepsin L cysteine protease 0.0358 0.4933 0.487
Brugia malayi cathepsin L precursor 0.0128 0.1524 0.1534
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Echinococcus multilocularis cathepsin L cysteine protease 0.0694 0.9933 0.9932
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0128 0.1524 0.1438
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0128 0.1524 0.1534
Brugia malayi fibroinase precursor 0.0128 0.1524 0.1534
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0128 0.1524 0.1418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0358 0.4933 0.4966
Mycobacterium tuberculosis Conserved protein 0.0135 0.1627 0.5
Entamoeba histolytica cysteine protease, putative 0.0128 0.1524 0.1438
Plasmodium falciparum serine repeat antigen 6 0.0128 0.1524 0.1534
Echinococcus granulosus cathepsin L 0.0358 0.4933 0.487
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Echinococcus granulosus cathepsin l1 0.0694 0.9933 0.9932
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0128 0.1524 0.1438
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0128 0.1524 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0694 0.9933 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Onchocerca volvulus Cathepsin L homolog 0.0694 0.9933 1
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Onchocerca volvulus 0.0694 0.9933 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0111 0.0112
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0465 0.6524 0.6568
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0128 0.1524 0.1534
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0128 0.1524 0.1418
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Trichomonas vaginalis rotamase, putative 0.0034 0.0123 0.0012
Loa Loa (eye worm) fibroinase 0.0694 0.9933 1
Entamoeba histolytica cysteine proteinase, putative 0.0358 0.4933 0.4909
Mycobacterium tuberculosis Toxin MazF3 0.0135 0.1627 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Mycobacterium tuberculosis Toxin MazF9 0.0135 0.1627 0.5
Mycobacterium ulcerans hypothetical protein 0.0135 0.1627 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0694 0.9933 1
Mycobacterium tuberculosis Possible toxin MazF7 0.0135 0.1627 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.023 0.303 0.305
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0128 0.1524 0.1438
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Entamoeba histolytica cysteine protease, putative 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0128 0.1524 0.1438
Loa Loa (eye worm) hypothetical protein 0.0694 0.9933 1
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0128 0.1524 0.1534
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0358 0.4933 0.4966
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Echinococcus multilocularis cathepsin b 0.0128 0.1524 0.1418
Entamoeba histolytica cysteine protease, putative 0.0128 0.1524 0.1438
Schistosoma mansoni cathepsin S (C01 family) 0.0128 0.1524 0.1418
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Schistosoma mansoni cathepsin F (C01 family) 0.0694 0.9933 0.9932
Brugia malayi Cathepsin L-like precursor 0.023 0.303 0.305
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0128 0.1524 0.1534
Toxoplasma gondii cathepsin CPC2 0.0128 0.1524 0.1534
Echinococcus multilocularis cysteine protease 0.0694 0.9933 0.9932
Loa Loa (eye worm) papain family cysteine protease containing protein 0.023 0.303 0.305
Trypanosoma cruzi cysteine protease, putative 0.0358 0.4933 0.4966
Plasmodium vivax unspecified product 0.023 0.303 0.305
Brugia malayi cathepsin L-like cysteine proteinase 0.0128 0.1524 0.1534
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0109 0.1244 0.1253
Loa Loa (eye worm) hypothetical protein 0.0465 0.6524 0.6568
Plasmodium vivax unspecified product 0.0358 0.4933 0.4966
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0694 0.9933 1
Mycobacterium tuberculosis Toxin MazF6 0.0135 0.1627 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.0871 0.0877
Brugia malayi Papain family cysteine protease containing protein 0.0694 0.9933 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0128 0.1524 0.1534
Loa Loa (eye worm) hypothetical protein 0.023 0.303 0.305
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Trypanosoma cruzi cysteine peptidase, putative 0.0358 0.4933 0.4966
Mycobacterium tuberculosis Possible toxin MazF1 0.0135 0.1627 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0128 0.1524 0.1438
Plasmodium falciparum serine repeat antigen 5 0.0128 0.1524 0.1534
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0123 0.0012
Onchocerca volvulus 0.0465 0.6524 0.6238
Onchocerca volvulus Cathepsin F homolog 0.0694 0.9933 1
Schistosoma mansoni hypothetical protein 0.0292 0.3954 0.3879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0128 0.1524 0.1534
Onchocerca volvulus 0.0694 0.9933 1
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Plasmodium falciparum serine repeat antigen 1 0.0128 0.1524 0.1534
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0358 0.4933 0.487
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0694 0.9933 1
Schistosoma mansoni cathepsin B (C01 family) 0.0128 0.1524 0.1418
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0128 0.1524 0.1438
Toxoplasma gondii cathepsin CPL 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Entamoeba histolytica cysteine proteinase, putative 0.0465 0.6524 0.6529
Brugia malayi Papain family cysteine protease containing protein 0.0128 0.1524 0.1534
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0128 0.1524 0.1534
Trypanosoma cruzi cysteine peptidase, putative 0.0694 0.9933 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0128 0.1524 0.1534
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Echinococcus multilocularis transcription factor eb 0.0109 0.1244 0.1135
Giardia lamblia Cathepsin L-like protease 0.0128 0.1524 0.5
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0871 0.0877
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Brugia malayi cathepsin Z-like cysteine proteinase 0.0128 0.1524 0.1534
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Echinococcus granulosus cathepsin l cysteine peptidase 0.0694 0.9933 0.9932
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0128 0.1524 0.1534
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0694 0.9933 0.9932
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Onchocerca volvulus 0.0153 0.1894 0.1128
Onchocerca volvulus 0.0694 0.9933 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0694 0.9933 1
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.1524 0.1438
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Onchocerca volvulus 0.0694 0.9933 1
Brugia malayi cathepsin F-like cysteine proteinase 0.023 0.303 0.305
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0111 0.0112
Plasmodium falciparum serine repeat antigen 9 0.0128 0.1524 0.1534
Trypanosoma cruzi cysteine peptidase, putative 0.0694 0.9933 1
Loa Loa (eye worm) hypothetical protein 0.023 0.303 0.305
Giardia lamblia Cathepsin L-like protease 0.0128 0.1524 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0694 0.9933 1
Plasmodium vivax vivapain-3 0.0358 0.4933 0.4966
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0128 0.1524 0.1534
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0111 0.0112
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0694 0.9933 1
Giardia lamblia Cathepsin L precursor 0.0128 0.1524 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Brugia malayi hypothetical protein 0.0153 0.1894 0.1906
Plasmodium vivax vivapain-1 0.0358 0.4933 0.4966
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0465 0.6524 0.6529
Onchocerca volvulus Cathepsin L homolog 0.0128 0.1524 0.072
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0128 0.1524 0.1534
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0358 0.4933 0.487
Entamoeba histolytica cysteine protease, putative 0.0128 0.1524 0.1438
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0128 0.1524 0.1534
Loa Loa (eye worm) hypothetical protein 0.023 0.303 0.305
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Toxoplasma gondii cathepsin B 0.0128 0.1524 0.1534
Echinococcus granulosus transcription factor eb 0.0109 0.1244 0.1135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Entamoeba histolytica cysteine proteinase 1, putative 0.0358 0.4933 0.4909
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0358 0.4933 0.4909
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0111 0.0112
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0128 0.1524 0.1534
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0111 0.0112
Toxoplasma gondii preprocathepsin c precursor, putative 0.0128 0.1524 0.1534
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0128 0.1524 0.5
Brugia malayi Cathepsin L-like precursor 0.0465 0.6524 0.6568
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0128 0.1524 0.1418
Plasmodium vivax unspecified product 0.0128 0.1524 0.1534
Leishmania major cysteine peptidase A (CPA) 0.0694 0.9933 1
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Brugia malayi Papain family cysteine protease containing protein 0.0358 0.4933 0.4966
Brugia malayi cathepsin Z-like cysteine proteinase 0.0128 0.1524 0.1534
Entamoeba histolytica cysteine proteinase 2 0.0358 0.4933 0.4909
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0358 0.4933 0.4909
Echinococcus multilocularis cathepsin L 0.0358 0.4933 0.487
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Schistosoma mansoni cathepsin C 0.0128 0.1524 0.1418
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0358 0.4933 0.4966
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0128 0.1524 0.1534
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Entamoeba histolytica cysteine protease, putative 0.0128 0.1524 0.1438
Echinococcus multilocularis cathepsin L 0.0128 0.1524 0.1418
Plasmodium vivax vivapain-2 0.0694 0.9933 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0694 0.9933 0.9932
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0128 0.1524 0.1438
Schistosoma mansoni cathepsin s 0.023 0.303 0.2943
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Trypanosoma cruzi cruzipain precursor, putative 0.023 0.303 0.305
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0128 0.1524 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0128 0.1524 0.1534
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0465 0.6524 0.6529
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Giardia lamblia Hypothetical protein 0.0128 0.1524 0.5
Mycobacterium tuberculosis Toxin MazF2 0.0135 0.1627 0.5
Giardia lamblia Cysteine protease 0.0128 0.1524 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0128 0.1524 0.1534
Entamoeba histolytica cysteine proteinase, putative 0.0694 0.9933 1
Plasmodium falciparum serine repeat antigen 2 0.0128 0.1524 0.1534
Onchocerca volvulus 0.0694 0.9933 1
Echinococcus granulosus cathepsin b 0.0128 0.1524 0.1418
Trypanosoma cruzi cysteine proteinase, putative 0.0358 0.4933 0.4966
Brugia malayi Cathepsin L-like precursor 0.0465 0.6524 0.6568
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0128 0.1524 0.1418
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.0871 0.0757
Schistosoma mansoni cathepsin F (C01 family) 0.0694 0.9933 0.9932
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.1524 0.1438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0128 0.1524 0.1438
Loa Loa (eye worm) cathepsin B 0.0128 0.1524 0.1534
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0128 0.1524 0.1534
Brugia malayi Papain family cysteine protease containing protein 0.0128 0.1524 0.1534
Loa Loa (eye worm) hypothetical protein 0.0153 0.1894 0.1906
Plasmodium falciparum serine repeat antigen 7 0.0128 0.1524 0.1534
Onchocerca volvulus 0.0694 0.9933 1
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Plasmodium falciparum serine repeat antigen 3 0.0128 0.1524 0.1534
Echinococcus granulosus cysteine protease 0.0358 0.4933 0.487
Loa Loa (eye worm) hypothetical protein 0.0109 0.1236 0.1245
Brugia malayi cathepsin L-like precursor 0.0465 0.6524 0.6568
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0128 0.1524 0.1534
Brugia malayi Papain family cysteine protease containing protein 0.0358 0.4933 0.4966
Onchocerca volvulus 0.0128 0.1524 0.072
Brugia malayi Cathepsin L-like cysteine proteinase 0.0465 0.6524 0.6568
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Trypanosoma cruzi cysteine peptidase, putative 0.0694 0.9933 1
Mycobacterium tuberculosis Possible toxin MazF4 0.0135 0.1627 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0694 0.9933 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Giardia lamblia Cysteine protease 0.0128 0.1524 0.5
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Plasmodium vivax vivapain-2 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0128 0.1524 0.1534
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0128 0.1524 0.1534
Trypanosoma brucei cysteine peptidase C (CPC) 0.0128 0.1524 0.1534
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0128 0.1524 0.1534
Schistosoma mansoni cathepsin F (C01 family) 0.0465 0.6524 0.648
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Plasmodium falciparum serine repeat antigen 8 0.0128 0.1524 0.1534
Giardia lamblia Hypothetical protein 0.0128 0.1524 0.5
Giardia lamblia Cysteine protease 0.0128 0.1524 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0128 0.1524 0.1438
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0128 0.1524 0.1438
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0128 0.1524 0.1418
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.023 0.303 0.305
Echinococcus multilocularis X box binding protein 1 0.0292 0.3954 0.3879
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0123 0.0124
Onchocerca volvulus Cathepsin L homolog 0.0694 0.9933 1
Loa Loa (eye worm) cysteine protease 0.0694 0.9933 1
Entamoeba histolytica hypothetical protein 0.0128 0.1524 0.1438
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0128 0.1524 0.1438
Echinococcus granulosus X box binding protein 1 0.0292 0.3954 0.3879
Trypanosoma cruzi major cysteine proteinase, putative 0.0128 0.1524 0.1534
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Toxoplasma gondii cathepsin CPC1 0.0128 0.1524 0.1534
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0123 0.0124
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Entamoeba histolytica cysteine protease, putative 0.0128 0.1524 0.1438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.0871 0.0757
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0694 0.9933 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0128 0.1524 0.1438
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0694 0.9933 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0358 0.4933 0.487
Loa Loa (eye worm) hypothetical protein 0.0465 0.6524 0.6568
Loa Loa (eye worm) ctsf protein 0.0694 0.9933 1
Entamoeba histolytica cysteine protease, putative 0.0358 0.4933 0.4909
Giardia lamblia Cathepsin B precursor 0.0128 0.1524 0.5
Leishmania major cathepsin L-like protease 0.0694 0.9933 1
Echinococcus multilocularis cathepsin b 0.0128 0.1524 0.1418
Plasmodium vivax serine-repeat antigen (SERA) 0.0128 0.1524 0.1534
Schistosoma mansoni microtubule-associated protein tau 0.0699 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1
Onchocerca volvulus 0.0694 0.9933 1
Echinococcus granulosus cathepsin L 0.0128 0.1524 0.1418
Brugia malayi Cathepsin L-like precursor 0.0694 0.9933 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0128 0.1524 0.1418
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0128 0.1524 0.1438
Loa Loa (eye worm) hypothetical protein 0.0128 0.1524 0.1534
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0358 0.4933 0.4966
Echinococcus granulosus cathepsin L cysteine proteinase 0.0694 0.9933 0.9932
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0694 0.9933 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against pencillin resistant Streptococcus pneumoniae A28272 ChEMBL. 16621551
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against methicillin-sensitive Staphylococcus aureus A15090 ChEMBL. 16621551
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against methicillin-sensitive Enterococcus faecalis A20688 ChEMBL. 16621551
PD50 (functional) > 10 mg kg-1 Activity against Staphylococcus aureus A15090 infected ICR mouse after 8 days ChEMBL. 16621551
PD50 (functional) > 10 mg kg-1 Activity against Staphylococcus aureus A15090 infected ICR mouse after 8 days ChEMBL. 16621551
Solubility = 0.02 mg/ml Solubility at pH 3.0 ChEMBL. 16621551

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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