Detailed information for compound 1609186

Basic information

Technical information
  • TDR Targets ID: 1609186
  • Name: NCI60_029404
  • MW: 414.621 | Formula: C27H42O3
  • H donors: 1 H acceptors: 2 LogP: 6.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCC1(O)O[C@@H]2[C@H]([C@@H]1C)[C@@]1([C@@H](C2)[C@@H]2CCC3[C@]([C@H]2CC1)(C)C=CC(=O)C3)C)C
  • InChi: 1S/C27H42O3/c1-16(2)8-13-27(29)17(3)24-23(30-27)15-22-20-7-6-18-14-19(28)9-11-25(18,4)21(20)10-12-26(22,24)5/h9,11,16-18,20-24,29H,6-8,10,12-15H2,1-5H3/t17-,18?,20+,21-,22-,23-,24-,25-,26-,27?/m0/s1
  • InChiKey: JMXOLUGCTHVZRO-KIWMTRGLSA-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
Loa Loa (eye worm) hypothetical protein 0.0545 0.1109 0.1104
Onchocerca volvulus 0.0034 0.0033 0.0133
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Echinococcus granulosus tumor protein p63 0.0356 0.0711 0.1333
Loa Loa (eye worm) hypothetical protein 0.0664 0.136 0.1354
Mycobacterium ulcerans hydrolase 0.0664 0.136 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0042 0.0028
Schistosoma mansoni dihydroceramide desaturase 0.1117 0.2313 0.5182
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0093 0.0194
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0356 0.0711 0.1585
Onchocerca volvulus Matrix metalloproteinase homolog 0.1209 0.2508 1
Echinococcus granulosus intermediate filament protein 0.0054 0.0074 0.0128
Loa Loa (eye worm) beta-lactamase 0.0038 0.0042 0.0035
Loa Loa (eye worm) hypothetical protein 0.0568 0.1157 0.1152
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0064 0.4839
Onchocerca volvulus 0.0034 0.0033 0.0133
Loa Loa (eye worm) inositol-1 0.0078 0.0125 0.0119
Echinococcus granulosus dnaJ subfamily B 0.0396 0.0795 0.1492
Brugia malayi Reprolysin 0.0384 0.077 0.2795
Onchocerca volvulus 0.0545 0.1109 0.4424
Plasmodium falciparum cysteine proteinase falcipain 3 0.0034 0.0033 0.8539
Leishmania major cathepsin L-like protease 0.0034 0.0033 0.1181
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1982 0.4135 0.9278
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0042 0.2975
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0096 0.0201
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.001 0.0275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0153 0.0277
Echinococcus multilocularis cysteine protease 0.0034 0.0033 0.0061
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0859 0.177 0.3963
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0038 0.2651
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.001 0.0012
Brugia malayi beta-lactamase family protein 0.0038 0.0042 0.013
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Trypanosoma cruzi major cysteine proteinase, putative 0.0102 0.0177 0.7441
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0064 0.4839
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0033 0.0061
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0042 0.2975
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0919 0.1896 0.4245
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0064 0.0196
Echinococcus granulosus cathepsin l1 0.0034 0.0033 0.0051
Loa Loa (eye worm) hypothetical protein 0.0025 0.0014 0.0007
Brugia malayi intermediate filament protein 0.0054 0.0074 0.0248
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0919 0.1896 0.6918
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0972 0.2007 0.3784
Brugia malayi Hemopexin family protein 0.0773 0.1589 0.5796
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0011 0.0384
Echinococcus granulosus microtubule associated protein 2 0.2135 0.4457 0.8415
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Brugia malayi ADAMTS-like protease 0.0568 0.1157 0.4215
Onchocerca volvulus 0.0773 0.1589 0.6337
Loa Loa (eye worm) hypothetical protein 0.0568 0.1157 0.1152
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1982 0.4135 0.7807
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0042 0.006
Brugia malayi hypothetical protein 0.0071 0.011 0.038
Plasmodium vivax vivapain-2 0.0034 0.0033 0.7644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Plasmodium falciparum importin beta, putative 0.0029 0.0022 0.508
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0038 0.2651
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.19 0.3963 0.889
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0153 0.0329
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0038 0.0071
Echinococcus multilocularis adam 0.1302 0.2703 0.6059
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0071 0.0146
Echinococcus multilocularis microtubule associated protein 2 0.2135 0.4457 1
Echinococcus multilocularis adam 17 protease 0.1945 0.4057 0.9103
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0038 1
Loa Loa (eye worm) fibroinase 0.0034 0.0033 0.0027
Schistosoma mansoni hypothetical protein 0.0396 0.0795 0.1773
Schistosoma mansoni microtubule-associated protein tau 0.2135 0.4457 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.001 0.0275
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Entamoeba histolytica cysteine proteinase, putative 0.0034 0.0033 0.2274
Onchocerca volvulus Cathepsin F homolog 0.0034 0.0033 0.0133
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0038 0.0071
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0033 0.0133
Echinococcus multilocularis cysteine protease 0.0034 0.0033 0.0061
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.011 0.0233
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0064 0.0227
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0125 0.5192
Onchocerca volvulus 0.0038 0.0042 0.0166
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Onchocerca volvulus 0.0034 0.0033 0.0133
Entamoeba histolytica cysteine proteinase, putative 0.0034 0.0033 0.2274
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0038 0.0071
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0042 0.006
Mycobacterium ulcerans hypothetical protein 0.0038 0.0042 0.0028
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0022 0.0702
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0038 0.006
Brugia malayi beta-lactamase 0.0038 0.0042 0.013
Brugia malayi Importin beta-1 subunit 0.0029 0.0022 0.0059
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0038 0.0071
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0972 0.2007 0.4496
Loa Loa (eye worm) hypothetical protein 0.0052 0.0071 0.0065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Echinococcus granulosus cathepsin l cysteine peptidase 0.0034 0.0033 0.0051
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0074 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0038 0.1376
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0236 1
Onchocerca volvulus 0.0054 0.0074 0.0296
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0093 0.0194
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0545 0.1109 0.2479
Leishmania major cathepsin L-like protease 0.013 0.0236 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0022 0.1353
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0972 0.2007 0.4496
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0236 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0022 0.4547
Trichomonas vaginalis esterase, putative 0.0038 0.0042 0.2975
Loa Loa (eye worm) hypothetical protein 0.0029 0.0022 0.0016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0153 0.0147
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0034 0.0033 0.2274
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0003
Schistosoma mansoni cpg binding protein 0.0029 0.0023 0.0038
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.0125 0.0661
Brugia malayi beta-lactamase family protein 0.0038 0.0042 0.013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.001 0.0275
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0236 1
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0022 0.0057
Leishmania major cathepsin L-like protease 0.013 0.0236 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trypanosoma cruzi cruzipain precursor, putative 0.013 0.0236 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Entamoeba histolytica hypothetical protein 0.0023 0.0011 0.0384
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0034 0.0033 0.0027
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0042 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Entamoeba histolytica hypothetical protein 0.0071 0.011 0.8716
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Brugia malayi metalloprotease 0.0131 0.0237 0.0843
Echinococcus multilocularis lamin 0.0054 0.0074 0.0152
Brugia malayi CXXC zinc finger family protein 0.0028 0.002 0.005
Brugia malayi jmjC domain containing protein 0.0062 0.0093 0.0316
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0042 0.1545
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0064 0.2513
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0038 0.2651
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0038 0.006
Leishmania major cathepsin L-like protease 0.0034 0.0033 0.1181
Echinococcus granulosus snurportin 1 0.0309 0.0613 0.1146
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.011 0.0196
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0038 0.1376
Onchocerca volvulus 0.0028 0.002 0.0079
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0096 0.0201
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0064 0.0196
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0011 0.0384
Leishmania major importin beta-1 subunit, putative 0.0023 0.0011 0.0199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trypanosoma cruzi cysteine peptidase, putative 0.0034 0.0033 0.1181
Schistosoma mansoni hypothetical protein 0.0773 0.1589 0.3557
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0033 0.0133
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.1302 0.2703 0.6059
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.007 0.0108 0.0504
Loa Loa (eye worm) hypothetical protein 0.0026 0.0016 0.001
Schistosoma mansoni cpg binding protein 0.0029 0.0023 0.0038
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0064 0.0211
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0086 0.0178
Entamoeba histolytica cysteine protease, putative 0.0034 0.0033 0.2274
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0038 1
Loa Loa (eye worm) hypothetical protein 0.0865 0.1782 0.1777
Brugia malayi RNA, U transporter 1 0.0082 0.0135 0.0471
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0096 0.0169
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0038 0.0116
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0309 0.0613 0.0607
Brugia malayi Matrixin family protein 0.0545 0.1109 0.4039
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0042 0.006
Toxoplasma gondii cathepsin CPL 0.0034 0.0033 0.2274
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0042 0.2975
Onchocerca volvulus Matrilysin homolog 0.1209 0.2508 1
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.1945 0.4057 0.9103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0042 0.008
Brugia malayi Cathepsin L-like precursor 0.0023 0.001 0.0012
Onchocerca volvulus 0.0038 0.0042 0.0166
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0042 0.008
Mycobacterium ulcerans hypothetical protein 0.0049 0.0064 0.0196
Onchocerca volvulus Matrilysin homolog 0.0545 0.1109 0.4424
Onchocerca volvulus 0.0023 0.001 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0153 0.0277
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Echinococcus multilocularis cpg binding protein 0.0029 0.0023 0.0038
Onchocerca volvulus 0.0054 0.0074 0.0296
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0038 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0003
Mycobacterium leprae PROBABLE HYDROLASE 0.0664 0.136 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Onchocerca volvulus 0.0034 0.0033 0.0133
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0038 0.006
Echinococcus granulosus adam 17 protease 0.2533 0.5295 1
Echinococcus multilocularis musashi 0.0054 0.0074 0.0152
Leishmania major cathepsin L-like protease 0.0034 0.0033 0.1181
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0042 0.006
Plasmodium vivax vivapain-2 0.0034 0.0033 0.7644
Echinococcus multilocularis disintegrin and metalloproteinase 0.1117 0.2313 0.5182
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0042 0.013
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0033 0.0061
Brugia malayi angiogenesis inhibito 0.0568 0.1157 0.4215
Brugia malayi Disintegrin family protein 0.1117 0.2313 0.8446
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0022 0.0016
Echinococcus multilocularis snurportin 1 0.0309 0.0613 0.1362
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0033 0.0061
Echinococcus multilocularis tumor protein p63 0.0356 0.0711 0.1584
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0042 0.1545
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.011 0.0233
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.0108 0.0561
Echinococcus granulosus lamin dm0 0.0054 0.0074 0.0128
Leishmania major cysteine peptidase A (CPA) 0.0034 0.0033 0.1181
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0064 0.0196
Onchocerca volvulus 0.0034 0.0033 0.0133
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0033 0.0061
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.0125 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0042 0.006
Schistosoma mansoni hypothetical protein 0.0309 0.0613 0.1362
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0042 0.2975
Loa Loa (eye worm) metalloprotease 0.0131 0.0237 0.023
Schistosoma mansoni lamin 0.0054 0.0074 0.0152
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.0125 0.0225
Schistosoma mansoni cpg binding protein 0.0028 0.002 0.0031
Entamoeba histolytica hypothetical protein 0.0071 0.011 0.8716
Brugia malayi Cathepsin L-like precursor 0.0023 0.001 0.0012
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0042 0.2975
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0042 0.006
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0033 0.0099
Brugia malayi ADAM-TS Spacer 1 family protein 0.0568 0.1157 0.4215
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0042 0.0028
Loa Loa (eye worm) hypothetical protein 0.0131 0.0237 0.023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Schistosoma mansoni inositol monophosphatase 0.0078 0.0125 0.0268
Echinococcus granulosus cathepsin l1 0.0023 0.001 0.0006
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0042 0.006
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0125 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Loa Loa (eye worm) disintegrin family protein 0.0529 0.1075 0.1069
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0016 0.0021
Leishmania major cathepsin L-like protease 0.013 0.0236 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0064 0.4839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0038 0.1376
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0022 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0014 0.0007
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0064 0.0227
Echinococcus multilocularis dnaJ subfamily B 0.0396 0.0795 0.1773
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0011 0.0384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0153 0.0329
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.0125 0.0268
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0033 0.0061
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0022 0.0702
Brugia malayi cathepsin L-like precursor 0.0023 0.001 0.0012
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0042 0.1545
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0034 0.0033 0.8539
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0033 0.0061
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.002 0.0014
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0034 0.0033 0.2274
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Onchocerca volvulus 0.0052 0.0071 0.0284
Loa Loa (eye worm) ctsf protein 0.0034 0.0033 0.0027
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0074 0.0248
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0125 0.5192
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0042 0.0067
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0064 0.0196
Loa Loa (eye worm) hypothetical protein 0.0054 0.0074 0.0068
Schistosoma mansoni intermediate filament proteins 0.0054 0.0074 0.0152
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0042 1
Brugia malayi Matrixin family protein 0.0545 0.1109 0.4039
Loa Loa (eye worm) reprolysin 0.0972 0.2007 0.2002
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0064 0.0211
Onchocerca volvulus 0.0034 0.0033 0.0133
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Leishmania major hypothetical protein, conserved 0.0038 0.0042 0.1545
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0096 0.009
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.19 0.3963 0.7481
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0042 0.006
Loa Loa (eye worm) matrixin family protein 0.1209 0.2508 0.2503
Echinococcus granulosus disintegrin and metalloproteinase 0.1117 0.2313 0.4361
Leishmania major cathepsin L-like protease 0.0034 0.0033 0.1181
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Echinococcus granulosus cathepsin L cysteine proteinase 0.0034 0.0033 0.0051
Schistosoma mansoni hypothetical protein 0.0071 0.011 0.0233
Brugia malayi Matrixin family protein 0.0545 0.1109 0.4039
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0664 0.136 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0125 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0125 0.5192
Loa Loa (eye worm) hypothetical protein 0.0053 0.0072 0.0066
Schistosoma mansoni lamin 0.0054 0.0074 0.0152
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.0125 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0064 0.0196
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0038 0.2651
Brugia malayi Matrixin family protein 0.1318 0.2737 1
Entamoeba histolytica hypothetical protein 0.0071 0.011 0.8716
Echinococcus multilocularis lamin dm0 0.0054 0.0074 0.0152
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0038 0.1376
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0064 0.0168
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0064 0.0211
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Entamoeba histolytica hypothetical protein 0.0071 0.011 0.8716
Echinococcus granulosus adam 0.1302 0.2703 0.5099
Loa Loa (eye worm) hypothetical protein 0.0049 0.0064 0.0058
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0664 0.136 0.4956
Brugia malayi Inositol-1 0.0078 0.0125 0.0436
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0034 0.0033 0.8539
Loa Loa (eye worm) hypothetical protein 0.0034 0.0033 0.0027
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0003
Echinococcus granulosus cpg binding protein 0.0029 0.0023 0.0032
Mycobacterium ulcerans beta-lactamase 0.0038 0.0042 0.0028
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0064 0.0196
Loa Loa (eye worm) matrixin family protein 0.1318 0.2737 0.2733
Loa Loa (eye worm) hypothetical protein 0.0437 0.0882 0.0876
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0038 0.0071
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0125 0.5192
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0919 0.1896 0.3572
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0972 0.2007 0.4496
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0011 0.0199
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0119 0.0212 0.8962
Brugia malayi hypothetical protein 0.1302 0.2703 0.9875
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0153 0.0329
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0064 0.0196
Toxoplasma gondii ABC1 family protein 0.0038 0.0042 0.2975
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0064 0.2513
Loa Loa (eye worm) matrix metalloproteinase 0.0545 0.1109 0.1104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Onchocerca volvulus 0.0034 0.0033 0.0133
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.001 0.0007
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.0125 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0064 0.0168
Schistosoma mansoni importin beta-1 0.0029 0.0022 0.0036
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Brugia malayi jmjC domain containing protein 0.0064 0.0096 0.0328
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0153 0.0536
Loa Loa (eye worm) angiogenesis inhibito 0.0131 0.0237 0.023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0038 0.0032
Brugia malayi Cathepsin L-like precursor 0.0034 0.0033 0.0099
Echinococcus granulosus lamin 0.0054 0.0074 0.0128
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0049 0.0064 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Loa Loa (eye worm) hypothetical protein 0.0545 0.1109 0.1104
Trichomonas vaginalis inositol monophosphatase, putative 0.0078 0.0125 1
Schistosoma mansoni inositol monophosphatase 0.0078 0.0125 0.0268
Loa Loa (eye worm) hypothetical protein 0.0049 0.0064 0.0058
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0919 0.1896 0.4245
Loa Loa (eye worm) hypothetical protein 0.0038 0.0042 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0033 0.2274
Loa Loa (eye worm) hypothetical protein 0.0545 0.1109 0.1104
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0064 0.2513
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0038 0.8951
Loa Loa (eye worm) cysteine protease 0.0034 0.0033 0.0027
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.0474 0.3324
Onchocerca volvulus 0.0038 0.0042 0.0166
Mycobacterium tuberculosis Conserved protein 0.0038 0.0042 0.006
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0236 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0074 0.0068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0042 0.008
Brugia malayi Matrixin family protein 0.0545 0.1109 0.4039
Mycobacterium ulcerans lipase LipD 0.0038 0.0042 0.0028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0153 0.0329
Mycobacterium tuberculosis Conserved protein 0.0038 0.0042 0.006
Leishmania major cathepsin L-like protease 0.0034 0.0033 0.1181
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0153 0.0329
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0033 0.2274
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0093 0.0163
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0034 0.0033 0.0027
Echinococcus granulosus importin subunit beta 1 0.0029 0.0022 0.003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0072 0.5545
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0016 0.0018
Onchocerca volvulus 0.0049 0.0064 0.0255
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0131 0.0237 0.0518
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0093 0.0194

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.446 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) -5.371 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) -5.352 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
GI50 (functional) -4.881 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) -4.863 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) -4.863 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) -4.841 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) -4.834 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) -4.827 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) -4.779 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) -4.755 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

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

No literature references available for this target.

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