Detailed information for compound 1748372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1168.54 | Formula: C65H105N3O15
  • H donors: 1 H acceptors: 8 LogP: 8.58 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(CCC(=O)O[C@H]1/C(=C\[C@@H](C)C(=O)C[C@@H](OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@@]2(O)O[C@@H](C[C@H](/C(=C/C=C/C=C/[C@@H](C[C@@H](C(=O)[C@@H]1OC)C)C)/C)OC)CC[C@@H]2C)[C@@H](C[C@H]1CC[C@@H]([C@@H](C1)OC)OC(=O)CCN(CC)CC)C)/C)CC
  • InChi: 1S/C65H105N3O15/c1-15-66(16-2)34-31-57(70)80-53-30-28-49(39-56(53)78-13)38-45(8)55-41-52(69)44(7)37-47(10)60(82-58(71)32-35-67(17-3)18-4)61(79-14)59(72)46(9)36-42(5)24-20-19-21-25-43(6)54(77-12)40-50-29-27-48(11)65(76,83-50)62(73)63(74)68-33-23-22-26-51(68)64(75)81-55/h19-21,24-25,37,42,44-46,48-51,53-56,60-61,76H,15-18,22-23,26-36,38-41H2,1-14H3/b21-19+,24-20+,43-25+,47-37-/t42-,44+,45+,46-,48-,49+,50+,51+,53-,54+,55+,56+,60-,61-,65-/m0/s1
  • InChiKey: ORVYOCOKBVMPLA-UAQILVTPSA-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
Toxoplasma gondii cathepsin CPL 0.0091 0.6008 1
Entamoeba histolytica hypothetical protein 0.0037 0.2122 0.2706
Plasmodium falciparum cysteine proteinase falcipain 3 0.0091 0.6008 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0681 0.081
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0681 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.284 0.4054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.1615 0.2162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.6008 0.8386
Echinococcus multilocularis cathepsin L 0.0017 0.0681 0.0681
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0047 0.284 0.34
Brugia malayi Papain family cysteine protease containing protein 0.0047 0.284 0.3934
Brugia malayi hypothetical protein 0.0037 0.2122 0.2895
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.003 0.1635 0.2181
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0105 0.7034 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0105 0.7034 1
Plasmodium vivax vivapain-2 0.0091 0.6008 1
Plasmodium vivax vivapain-1 0.0047 0.284 0.4054
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0105 0.7034 1
Entamoeba histolytica hypothetical protein 0.0037 0.2122 0.2706
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.1615 0.1615
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Echinococcus multilocularis cysteine protease 0.0091 0.6008 0.6008
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Brugia malayi TAR-binding protein 0.0065 0.4136 0.5808
Brugia malayi cathepsin L-like precursor 0.0061 0.3848 0.5392
Plasmodium vivax vivapain-2 0.0091 0.6008 1
Echinococcus granulosus lysosomal protective protein 0.0105 0.7034 0.7034
Giardia lamblia Cysteine protease 0.0017 0.0681 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.284 0.284
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0017 0.0681 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0091 0.6008 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.6008 0.6008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Brugia malayi cathepsin L-like cysteine proteinase 0.0017 0.0681 0.081
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.6008 0.8386
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0017 0.0681 0.0799
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0681 0.081
Onchocerca volvulus 0.0029 0.1588 0.1428
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Loa Loa (eye worm) hypothetical protein 0.0061 0.3848 0.5387
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.2122 0.2122
Schistosoma mansoni cathepsin F (C01 family) 0.0061 0.3848 0.3848
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Schistosoma mansoni hypothetical protein 0.0064 0.4099 0.4099
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.6008 0.6008
Plasmodium vivax unspecified product 0.003 0.1635 0.1791
Plasmodium falciparum cysteine proteinase falcipain 1 0.0047 0.284 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.284 0.4054
Echinococcus granulosus cathepsin l cysteine peptidase 0.0091 0.6008 0.6008
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.003 0.1635 0.2191
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.4136 0.5803
Onchocerca volvulus 0.0091 0.6008 0.8386
Schistosoma mansoni cpg binding protein 0.0029 0.1588 0.1588
Trypanosoma cruzi cruzipain precursor, putative 0.0091 0.6008 0.8386
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.001 0.0222 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4136 0.4136
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.1588 0.2123
Schistosoma mansoni hypothetical protein 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1635 0.2181
Echinococcus multilocularis cysteine protease 0.0091 0.6008 0.6008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.1615 0.2153
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Loa Loa (eye worm) hypothetical protein 0.0061 0.3848 0.5387
Echinococcus granulosus cpg binding protein 0.0031 0.1709 0.1709
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.6008 0.6008
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0091 0.6008 0.8515
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0105 0.7034 1
Schistosoma mansoni cathepsin S (C01 family) 0.0017 0.0681 0.0681
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Giardia lamblia Hypothetical protein 0.0017 0.0681 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0094 0.6239 0.8849
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.1588 0.2113
Giardia lamblia Hypothetical protein 0.0017 0.0681 0.5
Brugia malayi cathepsin B-like cysteine proteinase 0.0017 0.0681 0.081
Plasmodium vivax vivapain-3 0.0047 0.284 0.4054
Schistosoma mansoni hypothetical protein 0.003 0.1615 0.1615
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0681 0.081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.1615 0.1615
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.6008 0.8386
Loa Loa (eye worm) hypothetical protein 0.0094 0.6239 0.8849
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4136 0.4136
Echinococcus granulosus cathepsin b 0.0017 0.0681 0.0681
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.2122 0.2122
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0105 0.7034 1
Brugia malayi Cathepsin L-like precursor 0.0061 0.3848 0.5392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Onchocerca volvulus 0.0091 0.6008 0.8386
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0017 0.0681 0.081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Schistosoma mansoni hypothetical protein 0.003 0.1615 0.1615
Onchocerca volvulus 0.0091 0.6008 0.8386
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Echinococcus granulosus GPCR family 2 0.003 0.1615 0.1615
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Giardia lamblia Cysteine protease 0.0017 0.0681 0.5
Brugia malayi cathepsin F-like cysteine proteinase 0.0017 0.0681 0.081
Echinococcus multilocularis lysosomal protective protein 0.0105 0.7034 0.7034
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.6008 0.6008
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0105 0.7034 1
Echinococcus multilocularis cpg binding protein 0.0031 0.1709 0.1709
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0681 0.0799
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0129 0.0129
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.284 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.3848 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.284 0.4054
Giardia lamblia Cysteine protease 0.0017 0.0681 0.5
Schistosoma mansoni hypothetical protein 0.003 0.1615 0.1615
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Echinococcus granulosus tar DNA binding protein 0.0065 0.4136 0.4136
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Loa Loa (eye worm) hypothetical protein 0.003 0.1615 0.2153
Entamoeba histolytica cysteine proteinase, putative 0.0061 0.3848 0.5946
Echinococcus multilocularis cathepsin b 0.0017 0.0681 0.0681
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Echinococcus granulosus cathepsin L 0.0017 0.0681 0.0681
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.6008 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.4136 0.4136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0047 0.284 0.34
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Echinococcus multilocularis GPCR, family 2 0.003 0.1615 0.1615
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.284 0.284
Brugia malayi Calcitonin receptor-like protein seb-1 0.0094 0.6239 0.8851
Entamoeba histolytica cysteine protease, putative 0.0091 0.6008 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0105 0.7034 1
Brugia malayi Papain family cysteine protease containing protein 0.0047 0.284 0.3934
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Schistosoma mansoni hypothetical protein 0.0037 0.2122 0.2122
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0105 0.7034 0.7034
Onchocerca volvulus Cathepsin L homolog 0.0091 0.6008 0.8386
Schistosoma mansoni cpg binding protein 0.0031 0.1709 0.1709
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0105 0.7034 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Brugia malayi Cathepsin L-like precursor 0.003 0.1635 0.2191
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.3848 0.4986
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.2122 0.2122
Leishmania major cysteine peptidase A (CPA) 0.0091 0.6008 0.8386
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Brugia malayi fibroinase precursor 0.0017 0.0681 0.081
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.284 0.4054
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.3478 0.5251
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Schistosoma mansoni cathepsin s 0.003 0.1635 0.1635
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0017 0.0681 0.0681
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4136 0.4136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Onchocerca volvulus 0.0091 0.6008 0.8386
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.6008 0.6008
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Loa Loa (eye worm) ctsf protein 0.0091 0.6008 0.8515
Loa Loa (eye worm) hypothetical protein 0.0091 0.6008 0.8515
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4136 0.4136
Giardia lamblia Cathepsin L precursor 0.0017 0.0681 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.4136 0.5808
Loa Loa (eye worm) TAR-binding protein 0.0065 0.4136 0.5803
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0681 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.6008 1
Echinococcus multilocularis cathepsin L 0.0047 0.284 0.284
Trypanosoma cruzi cysteine proteinase, putative 0.0047 0.284 0.34
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Echinococcus granulosus cathepsin b 0.0017 0.0681 0.0681
Trypanosoma cruzi cysteine protease, putative 0.0047 0.284 0.34
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Loa Loa (eye worm) RNA binding protein 0.0065 0.4136 0.5803
Echinococcus granulosus cathepsin L 0.0047 0.284 0.284
Echinococcus multilocularis geminin 0.0146 1 1
Plasmodium vivax unspecified product 0.0047 0.284 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0047 0.284 0.4054
Schistosoma mansoni hypothetical protein 0.003 0.1615 0.1615
Giardia lamblia Cathepsin L-like protease 0.0017 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.6008 1
Echinococcus granulosus cysteine protease 0.0047 0.284 0.284
Echinococcus granulosus cathepsin L cysteine protease 0.0047 0.284 0.284
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0047 0.284 0.284
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0681 0.0799
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.6008 0.8386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 0.284 0.34
Giardia lamblia Cysteine protease 0.0017 0.0681 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.3957 0.3957
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.6008 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Loa Loa (eye worm) cysteine protease 0.0091 0.6008 0.8515
Brugia malayi latrophilin 2 splice variant baaae 0.0064 0.4099 0.5755
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Brugia malayi RNA binding protein 0.0065 0.4136 0.5808
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0091 0.6008 1
Entamoeba histolytica hypothetical protein 0.0037 0.2122 0.2706
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0095 0.6287 0.6287
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Loa Loa (eye worm) hypothetical protein 0.003 0.1635 0.2181
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0017 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.4099 0.575
Loa Loa (eye worm) hypothetical protein 0.0017 0.0681 0.0799
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Entamoeba histolytica cysteine proteinase 2 0.0047 0.284 0.4054
Loa Loa (eye worm) cathepsin B 0.0017 0.0681 0.0799
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0681 0.081
Echinococcus granulosus cathepsin l1 0.0061 0.3848 0.3848
Schistosoma mansoni cathepsin B (C01 family) 0.0017 0.0681 0.0681
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Schistosoma mansoni cpg binding protein 0.0031 0.1709 0.1709
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Schistosoma mansoni hypothetical protein 0.0146 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0681 0.0681
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0095 0.6287 0.6287
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0094 0.6239 0.8851
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0105 0.7034 1
Trypanosoma cruzi cysteine peptidase, putative 0.003 0.1635 0.1502
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Echinococcus granulosus cathepsin l1 0.0091 0.6008 0.6008
Brugia malayi Cathepsin L-like precursor 0.0061 0.3848 0.5392
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0061 0.3848 0.5387
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.3848 0.5946
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0105 0.7034 0.7034
Trypanosoma cruzi cruzipain precursor, putative 0.003 0.1635 0.1502
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Entamoeba histolytica cysteine proteinase 1, putative 0.0047 0.284 0.4054
Giardia lamblia Cathepsin L-like protease 0.0017 0.0681 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0091 0.6008 0.6008
Loa Loa (eye worm) hypothetical protein 0.003 0.1635 0.2181
Onchocerca volvulus 0.0091 0.6008 0.8386
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.1615 0.1615
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681
Onchocerca volvulus Cathepsin L homolog 0.0091 0.6008 0.8386
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0017 0.0681 0.0681
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.1615 0.1615
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.6008 0.6008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.6008 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.7034 1
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0681 0.0681
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Onchocerca volvulus Cathepsin F homolog 0.0091 0.6008 0.8386
Loa Loa (eye worm) fibroinase 0.0091 0.6008 0.8515
Leishmania major cathepsin L-like protease 0.0091 0.6008 0.8386
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0017 0.0681 0.0681
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0129 0.0129
Brugia malayi cathepsin F-like cysteine proteinase 0.003 0.1635 0.2191
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0105 0.7034 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4136 0.4136
Onchocerca volvulus 0.0091 0.6008 0.8386
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Giardia lamblia Encystation-specific protease 0.0017 0.0681 0.5
Schistosoma mansoni cathepsin C 0.0017 0.0681 0.0681
Trypanosoma cruzi cysteine proteinase, putative 0.0047 0.284 0.34
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0061 0.3848 0.5392
Echinococcus multilocularis cathepsin b 0.0017 0.0681 0.0681
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Giardia lamblia Cathepsin B precursor 0.0017 0.0681 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0047 0.284 0.34
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0091 0.6008 0.8515
Brugia malayi cathepsin L precursor 0.0017 0.0681 0.081
Onchocerca volvulus 0.0091 0.6008 0.8386
Onchocerca volvulus 0.0061 0.3848 0.4986
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.6008 1
Brugia malayi Latrophilin receptor protein 2 0.003 0.1615 0.2162
Brugia malayi Papain family cysteine protease containing protein 0.0091 0.6008 0.8516
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0681 0.081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0091 0.6008 0.8386
Brugia malayi Cathepsin L-like precursor 0.0091 0.6008 0.8516
Entamoeba histolytica cysteine protease, putative 0.0047 0.284 0.4054
Entamoeba histolytica hypothetical protein 0.0037 0.2122 0.2706
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0681 0.0681

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.968 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.733 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.459 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.072 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.792 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.763 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.747 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.531 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.458 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.273 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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