Detailed information for compound 1098451

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 536.788 | Formula: C34H52N2O3
  • H donors: 1 H acceptors: 3 LogP: 9.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)COC(=O)n1cncc1
  • InChi: 1S/C34H52N2O3/c1-22(2)23-10-15-34(20-39-29(38)36-19-18-35-21-36)17-16-32(6)24(28(23)34)8-9-26-31(5)13-12-27(37)30(3,4)25(31)11-14-33(26,32)7/h18-19,21,23-28,37H,1,8-17,20H2,2-7H3/t23-,24+,25-,26+,27-,28+,31-,32+,33+,34+/m0/s1
  • InChiKey: ZJICALPJPGPPOI-FUPONGDBSA-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 multilocularis jumonji domain containing protein 0.0048 0.0307 0.0326
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0164 0.0206
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0615 0.1138
Schistosoma mansoni hypothetical protein 0.004 0.0214 0.0268
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0249 0.0167
Schistosoma mansoni rab6-interacting 0.0023 0.0011 0.0014
Loa Loa (eye worm) glutaminase 0.065 0.7648 0.8737
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Trypanosoma brucei glucosidase, putative 0.0043 0.0249 0.034
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0012
Leishmania major hypothetical protein, conserved 0.003 0.0094 0.0128
Plasmodium vivax SET domain protein, putative 0.0106 0.1021 0.1384
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0144 0.018
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0615 0.1138
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0106 0.1021 0.1081
Brugia malayi Hexokinase family protein 0.0622 0.7308 0.835
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1496 0.1585
Loa Loa (eye worm) hexokinase type II 0.0622 0.7308 0.835
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0164 0.0188
Trypanosoma brucei hexokinase 0.0622 0.7308 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0011 0.0014
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0166
Schistosoma mansoni jumonji/arid domain-containing protein 0.0112 0.109 0.1363
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0029 0.0083 0.0109
Mycobacterium ulcerans glutaminase 0.065 0.7648 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.001 0.0027
Echinococcus granulosus expressed conserved protein 0.0091 0.0834 0.1043
Brugia malayi Pre-SET motif family protein 0.0741 0.8753 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.001 0.0019
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0133 0.014
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Schistosoma mansoni jumonji domain containing protein 0.016 0.1671 0.209
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0144 0.018
Onchocerca volvulus 0.0106 0.1021 0.1012
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0127 0.0173
Leishmania major hexokinase, putative 0.0622 0.7308 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0164 0.0188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1496 0.1872
Echinococcus granulosus GPCR family 2 0.0033 0.0133 0.0166
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0615 0.1138
Mycobacterium tuberculosis Conserved protein 0.0073 0.0615 0.1138
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0337 0.3836 0.5016
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0615 0.0842
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0012
Mycobacterium ulcerans lipase LipD 0.0073 0.0615 0.0805
Brugia malayi Bromodomain containing protein 0.0034 0.0144 0.0164
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0164 0.0188
Brugia malayi hexokinase 0.0622 0.7308 0.835
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.003 0.009 0.0095
Echinococcus multilocularis lysine specific demethylase 5A 0.0112 0.109 0.1154
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0011 0.0013
Schistosoma mansoni alpha-glucosidase 0.0166 0.1754 0.2193
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0164 0.0206
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0011 0.0014
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0029 0.0083 0.0109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0133 0.0152
Echinococcus multilocularis hexokinase type 2 0.0622 0.7308 0.7739
Echinococcus multilocularis lamin 0.0028 0.0067 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0164 0.0188
Plasmodium falciparum JmjC domain-containing protein, putative 0.003 0.009 0.0108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0164 0.0206
Schistosoma mansoni lamin 0.0028 0.0067 0.0084
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.009 0.0102
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0249 0.0167
Brugia malayi PHD-finger family protein 0.0034 0.0144 0.0164
Echinococcus granulosus hexokinase 0.0622 0.7308 0.9141
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1011 0.1155
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0012
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0144 0.0197
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.001 0.0013
Schistosoma mansoni phd/f-box containing protein 0.003 0.009 0.0112
Mycobacterium ulcerans hypothetical protein 0.0029 0.0083 0.0109
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0924 0.1156
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.0249 0.0284
Echinococcus granulosus phd:f box containing protein 0.003 0.009 0.0112
Schistosoma mansoni lipoxygenase 0.014 0.1431 0.179
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0615 0.0805
Mycobacterium ulcerans hypothetical protein 0.0073 0.0615 0.0805
Brugia malayi nuclear hormone receptor 0.0036 0.0164 0.0188
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0094 0.0113
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0094 0.0128
Loa Loa (eye worm) hypothetical protein 0.0051 0.0346 0.0396
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0043 0.0249 0.034
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0094 0.0113
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0307 0.0385
Echinococcus granulosus microtubule associated protein 2 0.0679 0.7996 1
Onchocerca volvulus 0.0622 0.7308 0.7306
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0144 0.0197
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0232 0.0246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0106 0.1021 0.1277
Onchocerca volvulus Hexokinase homolog 0.039 0.4483 0.4477
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0164 0.0206
Toxoplasma gondii ABC1 family protein 0.0073 0.0615 0.0842
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Plasmodium vivax JmjC domain containing protein 0.003 0.009 0.0108
Mycobacterium ulcerans hypothetical protein 0.0023 0.001 0.0013
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0067 0.0076
Schistosoma mansoni hypothetical protein 0.0023 0.0011 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1496 0.1872
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Trypanosoma brucei cytochrome P450, putative 0.0033 0.0127 0.0173
Loa Loa (eye worm) hypothetical protein 0.0198 0.2137 0.2441
Entamoeba histolytica hexokinase 2 0.0622 0.7308 0.8977
Echinococcus multilocularis citrate lyase subunit beta protein 0.0029 0.0083 0.0088
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0133 0.0152
Toxoplasma gondii hexokinase 0.0622 0.7308 1
Echinococcus granulosus RUN 0.0023 0.0011 0.0014
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0164 0.0188
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0166
Onchocerca volvulus 0.0023 0.0011 0.0001
Echinococcus multilocularis musashi 0.0028 0.0067 0.0071
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0615 0.0703
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1412 0.1766
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.003 0.009 0.0123
Loa Loa (eye worm) hypothetical protein 0.003 0.009 0.0102
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0741 0.8753 1
Leishmania major cytochrome p450-like protein 0.0033 0.0127 0.0173
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0094 0.0128
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0013
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0164 0.0206
Echinococcus multilocularis hexokinase 0.0622 0.7308 0.7739
Echinococcus granulosus peregrin 0.0034 0.0144 0.018
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0164 0.0206
Echinococcus granulosus intermediate filament protein 0.0028 0.0067 0.0084
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0164 0.0188
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0249 0.0167
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0164 0.0206
Toxoplasma gondii histone lysine demethylase JMJD6a 0.003 0.009 0.0123
Onchocerca volvulus Alhambra homolog 0.0034 0.0144 0.0134
Loa Loa (eye worm) jmjC domain-containing protein 0.0112 0.109 0.1245
Echinococcus multilocularis RUN 0.0023 0.0011 0.0012
Onchocerca volvulus 0.0023 0.0011 0.0001
Loa Loa (eye worm) hexokinase 0.0193 0.2072 0.2367
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0106 0.1021 0.1397
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0249 0.0284
Leishmania major hexokinase, putative 0.0622 0.7308 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0671 0.0767
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0033 0.0127 0.0166
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0249 0.0293
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0067 0.0076
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.003 0.009 0.0123
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0011 0.0014
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0164 0.0174
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0249 0.0167
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0144 0.0164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0164 0.0188
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0615 0.1138
Brugia malayi jmjC domain containing protein 0.003 0.009 0.0102
Schistosoma mansoni intermediate filament proteins 0.0028 0.0067 0.0084
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.0249 0.0311
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0604 0.0691
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0164 0.0188
Schistosoma mansoni loxhd1 0.0023 0.0011 0.0014
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0133 0.0166
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0164 0.0206
Loa Loa (eye worm) beta-lactamase 0.0073 0.0615 0.0703
Leishmania major hypothetical protein, conserved 0.0073 0.0615 0.0842
Onchocerca volvulus 0.0073 0.0615 0.0606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0106 0.1021 0.1277
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Schistosoma mansoni jumonji domain containing protein 0.003 0.009 0.0112
Onchocerca volvulus 0.0073 0.0615 0.0606
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0906 0.1102
Schistosoma mansoni hypothetical protein 0.004 0.0214 0.0268
Schistosoma mansoni hypothetical protein 0.0188 0.2016 0.2521
Brugia malayi Pre-SET motif family protein 0.0106 0.1021 0.1166
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0029 0.0083 0.0154
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.001 0.0013
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0034 0.0144 0.0164
Onchocerca volvulus 0.0073 0.0615 0.0606
Echinococcus multilocularis lamin dm0 0.0028 0.0067 0.0071
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0083 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0164 0.0188
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.009 0.0095
Brugia malayi jmjC domain containing protein 0.003 0.009 0.0102
Trichomonas vaginalis glutaminase, putative 0.065 0.7648 0.7628
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0127 0.0173
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0232 0.015
Schistosoma mansoni rab6-interacting 0.0023 0.0011 0.0014
Trichomonas vaginalis esterase, putative 0.0073 0.0615 0.0536
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.009 0.0123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0164 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0164 0.0188
Loa Loa (eye worm) glutaminase 2 0.065 0.7648 0.8737
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0164 0.0188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1011 0.1155
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0014
Echinococcus granulosus lamin dm0 0.0028 0.0067 0.0084
Brugia malayi hypothetical protein 0.003 0.0094 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1496 0.1872
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Echinococcus multilocularis hexokinase 0.0622 0.7308 0.7739
Loa Loa (eye worm) hypothetical protein 0.0106 0.1021 0.1166
Echinococcus multilocularis hexokinase 0.0622 0.7308 0.7739
Echinococcus multilocularis GPCR, family 2 0.0033 0.0133 0.014
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.009 0.0112
Schistosoma mansoni alpha-glucosidase 0.0166 0.1754 0.2193
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.009 0.0102
Loa Loa (eye worm) hypothetical protein 0.0028 0.0067 0.0076
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0249 0.0167
Trypanosoma cruzi hypothetical protein, conserved 0.0255 0.2829 0.3871
Echinococcus granulosus citrate lyase subunit beta protein 0.0029 0.0083 0.0104
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0615 0.0652
Loa Loa (eye worm) hypothetical protein 0.003 0.009 0.0102
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0615 0.0536
Brugia malayi jmjC domain containing protein 0.003 0.009 0.0102
Trichomonas vaginalis set domain proteins, putative 0.0843 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0183 0.1952 0.2442
Brugia malayi Hexokinase family protein 0.0193 0.2072 0.2367
Schistosoma mansoni patched 1 0.0042 0.0232 0.0291
Brugia malayi Cytochrome P450 family protein 0.0033 0.0127 0.0145
Mycobacterium ulcerans hypothetical protein 0.0029 0.0083 0.0109
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.9443 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0164 0.0206
Brugia malayi steroid hormone receptor 0.0036 0.0164 0.0188
Brugia malayi beta-lactamase family protein 0.0073 0.0615 0.0703
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0615 0.077
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.001 0.0019
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0164 0.0206
Schistosoma mansoni lamin 0.0028 0.0067 0.0084
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.001 0.0027
Loa Loa (eye worm) hypothetical protein 0.0097 0.0906 0.1035
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0083 0.0114
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0615 0.1138
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0615 0.077
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0164 0.0206
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0164 0.0154
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0133 0.0152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0164 0.0188
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0615 0.0536
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0014
Echinococcus multilocularis protein dispatched 1 0.0047 0.0304 0.0322
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0615 0.0536
Mycobacterium tuberculosis Conserved protein 0.0073 0.0615 0.1138
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.7996 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0102 0.0973 0.1217
Brugia malayi hypothetical protein 0.0023 0.0011 0.0013
Plasmodium falciparum phd finger protein, putative 0.0034 0.0144 0.0182
Trypanosoma cruzi hexokinase, putative 0.0622 0.7308 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0127 0.0145
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0249 0.0167
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0013
Loa Loa (eye worm) hypothetical protein 0.0424 0.4898 0.5596
Schistosoma mansoni hypothetical protein 0.0188 0.2016 0.2521
Echinococcus multilocularis protein patched 0.0042 0.0232 0.0246
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0029 0.0083 0.0109
Echinococcus granulosus geminin 0.0188 0.2016 0.2521
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0164 0.0174
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1412 0.1495
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.009 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0164 0.0188
Brugia malayi CHE-14 protein 0.0042 0.0232 0.0265
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.003 0.009 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1011 0.1155
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0106 0.1021 0.1277
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0164 0.0206
Onchocerca volvulus 0.0028 0.0067 0.0057
Echinococcus granulosus hexokinase type 2 0.0622 0.7308 0.9141
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0615 0.0703
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0144 0.0152
Brugia malayi ecdysteroid receptor 0.0036 0.0164 0.0188
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.009 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0164 0.0188
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0232 0.0291
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0164 0.0206
Loa Loa (eye worm) hypothetical protein 0.0198 0.2137 0.2441
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Leishmania major hypothetical protein, conserved 0.003 0.009 0.0123
Echinococcus granulosus hexokinase 0.0622 0.7308 0.9141
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0589 0.0673
Brugia malayi nuclear receptor NHR-88 0.0036 0.0164 0.0188
Plasmodium falciparum hexokinase 0.0622 0.7308 1
Schistosoma mansoni hexokinase 0.0622 0.7308 0.9141
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.0249 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.1496 0.171
Echinococcus granulosus lysosomal alpha glucosidase 0.0193 0.2082 0.2603
Loa Loa (eye worm) cytochrome P450 family protein 0.0121 0.1201 0.1372
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.0249 0.0263
Trypanosoma brucei hypothetical protein, conserved 0.0255 0.2829 0.3871
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0164 0.0206
Echinococcus granulosus arachidonate 5 lipoxygenase 0.014 0.1431 0.179
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.2082 0.2204
Echinococcus granulosus hexokinase 0.0622 0.7308 0.9141
Echinococcus multilocularis phd:f box containing protein 0.003 0.009 0.0095
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0615 0.1604
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Brugia malayi Cytochrome P450 family protein 0.0033 0.0127 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1496 0.1585
Loa Loa (eye worm) hypothetical protein 0.0042 0.0232 0.0265
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0232 0.0265
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0164 0.0174
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0106 0.1021 0.1277
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.009 0.0112
Trypanosoma brucei hexokinase, putative 0.0622 0.7308 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0249 0.0293
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0164 0.0188
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0067 0.0076
Loa Loa (eye worm) hypothetical protein 0.0105 0.1011 0.1155
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0906 0.1035
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0164 0.0206
Brugia malayi hypothetical protein 0.0023 0.0011 0.0013
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0615 0.1138
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0232 0.0291
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Loa Loa (eye worm) hexokinase 0.0622 0.7308 0.835
Onchocerca volvulus 0.0622 0.7308 0.7306
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0011 0.0012
Echinococcus granulosus lysine specific demethylase 5A 0.0112 0.109 0.1363
Trypanosoma cruzi hypothetical protein, conserved 0.0255 0.2829 0.3871
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0615 0.0536
Onchocerca volvulus 0.039 0.4483 0.4477
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0906 0.1133
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0615 0.0828
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0691 0.814 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0188
Echinococcus granulosus histone lysine methyltransferase setb 0.0106 0.1021 0.1277
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0164 0.0188
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0166
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0164 0.0174
Brugia malayi glutaminase DH11.1 0.065 0.7648 0.8737
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0164 0.0188
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0094 0.0128
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0337 0.3836 0.7095
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0164 0.0188
Brugia malayi Hexokinase family protein 0.039 0.4483 0.5122
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0094 0.0113
Echinococcus granulosus jumonji domain containing 1A 0.003 0.009 0.0112
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0164 0.0154
Mycobacterium leprae Probable lipase LipE 0.0073 0.0615 0.1604
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0166
Loa Loa (eye worm) hypothetical protein 0.0072 0.0604 0.0691
Giardia lamblia Fructose-bisphosphate aldolase 0.0691 0.814 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.0615 0.1138
Schistosoma mansoni hypothetical protein 0.004 0.0214 0.0268
Echinococcus multilocularis expressed conserved protein 0.0091 0.0834 0.0883
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0691 0.814 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.014 0.1431 0.1516
Onchocerca volvulus 0.0028 0.0067 0.0057
Echinococcus multilocularis peregrin 0.0034 0.0144 0.0152
Schistosoma mansoni hypothetical protein 0.0034 0.0144 0.018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0133 0.0166
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0164 0.0206
Mycobacterium ulcerans beta-lactamase 0.0073 0.0615 0.0805
Onchocerca volvulus 0.0036 0.0164 0.0154
Brugia malayi Glycosyl hydrolases family 31 protein 0.0193 0.2082 0.2378
Brugia malayi intermediate filament protein 0.0028 0.0067 0.0076
Echinococcus multilocularis geminin 0.0188 0.2016 0.2135
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0013
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0615 0.0536
Brugia malayi jmjC domain containing protein 0.003 0.009 0.0102
Trypanosoma brucei hexokinase 0.0622 0.7308 1
Leishmania major hypothetical protein, conserved 0.0255 0.2829 0.3871
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0144 0.0182
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0107
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0164 0.0174
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0615 0.1138
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0164 0.0188
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0164 0.0174
Schistosoma mansoni hypothetical protein 0.0072 0.0604 0.0756
Schistosoma mansoni polycystin 1-related 0.0023 0.0011 0.0014
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.7996 0.8467
Trichomonas vaginalis sucrase-isomaltase, putative 0.0043 0.0249 0.0167
Loa Loa (eye worm) hypothetical protein 0.0033 0.0133 0.0152
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0466 0.5407 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0083 0.0114
Schistosoma mansoni jumonji/arid domain-containing protein 0.0112 0.109 0.1363
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.2082 0.2204
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0133 0.014
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.001 0.0013
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0011 0.0012
Treponema pallidum fructose-bisphosphate aldolase 0.0691 0.814 1
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.009 0.0095
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0164 0.0206
Loa Loa (eye worm) hypothetical protein 0.0027 0.0061 0.0069
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0615 0.077
Entamoeba histolytica hexokinase 1 0.0622 0.7308 0.8977
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0127 0.0145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1496 0.1872
Brugia malayi Doublecortin family protein 0.0023 0.0011 0.0013
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0094 0.0128
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0249 0.0167
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1496 0.1872
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0615 0.0842
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0164 0.0206
Schistosoma mansoni glutaminase 0.065 0.7648 0.9565
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0249 0.034
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0183 0.1952 0.2067
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0164 0.0188
Onchocerca volvulus 0.0622 0.7308 0.7306
Brugia malayi beta-lactamase 0.0073 0.0615 0.0703
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0164 0.0206
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0906 0.0959
Loa Loa (eye worm) hypothetical protein 0.0023 0.0011 0.0013
Onchocerca volvulus 0.0112 0.1088 0.1079
Mycobacterium tuberculosis Conserved protein 0.0029 0.0083 0.0154
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0011 0.0012
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0193 0.2082 0.2378
Schistosoma mansoni alpha glucosidase 0.0043 0.0249 0.0311
Schistosoma mansoni coup transcription factor 0.0036 0.0164 0.0206
Schistosoma mansoni phosphatidylserine receptor 0.003 0.009 0.0112
Brugia malayi beta-lactamase family protein 0.0073 0.0615 0.0703
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.009 0.0112
Brugia malayi jmjC domain containing protein 0.0112 0.109 0.1245
Loa Loa (eye worm) CYP4Cod1 0.0033 0.0127 0.0145
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0164 0.0174
Brugia malayi hexokinase type II 0.0198 0.2137 0.2441
Schistosoma mansoni hypothetical protein 0.004 0.0214 0.0268
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0164 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0164 0.0188
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.009 0.0102
Schistosoma mansoni lipoxygenase 0.0098 0.0918 0.1148
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0337 0.3836 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124
Loa Loa (eye worm) hypothetical protein 0.0073 0.0615 0.0703
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0249 0.034
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0106 0.1021 0.1081
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0615 0.0805
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0164 0.0188
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0164 0.0206
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.1496 0.171
Loa Loa (eye worm) hexokinase 0.039 0.4483 0.5122
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0615 0.0842
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0164 0.0174
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0164 0.0188
Schistosoma mansoni protein phosphatase 2C 0.003 0.009 0.0112
Loa Loa (eye worm) hypothetical protein 0.0023 0.0011 0.0013
Trypanosoma cruzi hexokinase, putative 0.0622 0.7308 1
Brugia malayi jmjC domain containing protein 0.0183 0.1952 0.223
Brugia malayi Cytochrome P450 family protein 0.0121 0.1201 0.1372
Leishmania major alpha glucosidase II subunit, putative 0.0043 0.0249 0.034
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0164 0.0206
Plasmodium vivax hexokinase, putative 0.0622 0.7308 1
Loa Loa (eye worm) hexokinase 0.0622 0.7308 0.835
Echinococcus granulosus lamin 0.0028 0.0067 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0164 0.0188
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.001 0.0013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0691 0.814 0.8124

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.2 nM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 19674909
IC50 (functional) = 7.6 nM Cytotoxicity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 19674909
IC50 (functional) = 16.3 nM Cytotoxicity against human Jurkat cells after 72 hrs by XTT assay ChEMBL. 19674909

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19674909

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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