Detailed information for compound 984612

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.683 | Formula: C30H46O5
  • H donors: 4 H acceptors: 5 LogP: 5.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@]1([C@H]2CC(=O)/C/1=C(\C=C\C=C(\C=C\C(C(O)(C)C)O)/C)/C)C)C
  • InChi: 1S/C30H46O5/c1-19(11-12-24(33)27(3,4)35)9-8-10-20(2)26-21(32)17-23-28(5)16-14-25(34)30(7,18-31)22(28)13-15-29(23,26)6/h8-12,22-25,31,33-35H,13-18H2,1-7H3/b10-8+,12-11+,19-9+,26-20+/t22-,23+,24?,25+,28+,29+,30-/m1/s1
  • InChiKey: WKAINZFICWJPQH-WFZSEPIISA-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
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3016 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0143 0.0142
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0108 0.1069
Brugia malayi beta-lactamase family protein 0.0037 0.0108 0.0107
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0047 0.0045
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0091 0.0089
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0091 0.0089
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0108 0.0171
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0194 0.0193
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0143 0.0142
Loa Loa (eye worm) acetyltransferase 0.0143 0.046 0.046
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0028 0.0026
Mycobacterium tuberculosis Probable reductase 0.0087 0.0272 0.3287
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0013 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Brugia malayi Erv1 / Alr family protein 0.0005 0.0002 0.0002
Brugia malayi quiescin Q6 0.0005 0.0002 0.0002
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.0447 0.0444
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1415 0.4683 1
Onchocerca volvulus 0.0037 0.0108 0.1265
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0194 0.0191
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.0305 0.372
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0097 0.7803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0285 0.0283
Toxoplasma gondii thioredoxin reductase 0.0038 0.0111 0.8904
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0124 0.0206
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0047 0.0045
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0028 0.0026
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0124 1
Loa Loa (eye worm) glutathione reductase 0.0038 0.0111 0.011
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0013 0.0011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0143 0.0141
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.0272 0.3287
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0409 0.0408
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0047 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0108 0.0171
Loa Loa (eye worm) hypothetical protein 0.0032 0.0091 0.0091
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0026
Echinococcus multilocularis protein dispatched 1 0.1242 0.4108 0.4106
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0194 0.0193
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0285 0.0283
Loa Loa (eye worm) hypothetical protein 0.3016 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0048 0.0143 0.0141
Plasmodium vivax glutathione reductase, putative 0.0038 0.0111 0.8904
Echinococcus granulosus sterol regulatory element binding protein 0.1242 0.4108 0.4106
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0113 0.0181
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0108 0.0171
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1415 0.4683 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0047 0.0045
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.0485 0.0485
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.0272 0.3287
Plasmodium falciparum thioredoxin reductase 0.0013 0.0028 0.2343
Echinococcus granulosus Protein patched homolog 1 0.1242 0.4108 0.4106
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Leishmania major hypothetical protein, conserved 0.0037 0.0108 0.008
Loa Loa (eye worm) Erv1/Alr family protein 0.0005 0.0002 0.0002
Echinococcus multilocularis Smad4 0.0009 0.0013 0.0011
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0047 0.0047
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0028 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0047 0.0045
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0108 0.1069
Plasmodium falciparum glutathione reductase 0.0038 0.0111 0.9822
Mycobacterium tuberculosis Conserved protein 0.0037 0.0108 0.1069
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0017 0.0016
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0047 0.3796
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0285 0.0283
Schistosoma mansoni hypothetical protein 0.0048 0.0143 0.0141
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.0272 0.3287
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0028 0.2266
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0124 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0409 0.0408
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0111 0.8904
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0111 0.0108
Trichomonas vaginalis esterase, putative 0.0037 0.0108 0.0171
Plasmodium falciparum glutathione reductase 0.0013 0.0028 0.2343
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.0485 0.0485
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0028 0.2343
Leishmania major hypothetical protein, conserved 0.0034 0.0097 0.0069
Loa Loa (eye worm) hypothetical protein 0.0151 0.0485 0.0485
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0108 0.1069
Loa Loa (eye worm) quiescin Q6 0.0005 0.0002 0.0002
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0013 0.0011
Onchocerca volvulus 0.0037 0.0108 0.1265
Toxoplasma gondii Erv1 / Alr family protein 0.0005 0.0002 0.0185
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0013 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0091 0.0089
Onchocerca volvulus 0.0032 0.0091 0.1072
Brugia malayi Pre-SET motif family protein 0.0225 0.0731 0.073
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0047 0.0041
Schistosoma mansoni patched 1 0.1242 0.4108 0.4106
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0112 0.011
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0028 0.2266
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0108 0.1069
Schistosoma mansoni hypothetical protein 0.0048 0.0143 0.0141
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0011
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.0305 0.372
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0028 0.0026
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.046 0.046
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0108 0.0105
Echinococcus multilocularis sterol regulatory element binding protein 0.1242 0.4108 0.4106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0285 0.0283
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0124 0.0122
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0017 0.0016
Mycobacterium tuberculosis Conserved protein 0.0037 0.0108 0.1069
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.0272 0.8369
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0047 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0108 0.0105
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.046 0.0458
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1415 0.4683 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3016 1 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1242 0.4108 0.4108
Schistosoma mansoni ap endonuclease 0.0019 0.0047 0.0045
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0028 0.0026
Brugia malayi Smad1 0.0009 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0285 0.0283
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Mycobacterium ulcerans beta-lactamase 0.0037 0.0108 0.008
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.0771 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0108 0.1069
Loa Loa (eye worm) hypothetical protein 0.0103 0.0327 0.0326
Brugia malayi MH2 domain containing protein 0.0009 0.0013 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0194 0.0191
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0013 0.0011
Brugia malayi MH1 domain containing protein 0.0009 0.0013 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0143 0.0142
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.0272 0.3287
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.046 0.0458
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3016 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0047 0.0019
Echinococcus granulosus GPCR family 2 0.0048 0.0143 0.0141
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0028 0.2266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.0485 0.0485
Schistosoma mansoni Smad4 0.0009 0.0013 0.0011
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0108 0.1069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0143 0.0141
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0026
Schistosoma mansoni hypothetical protein 0.017 0.055 0.0548
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0108 0.0107
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0124 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0143 0.0142
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0011
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0047 0.4067
Brugia malayi Augmenter of liver regeneration 0.0034 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0194 0.0191
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0108 0.0105
Echinococcus multilocularis smad 0.0009 0.0013 0.0011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0285 0.0285
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0097 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Echinococcus multilocularis protein patched 0.1242 0.4108 0.4106
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.0097 0.0097
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0124 0.0206
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0108 0.008
Brugia malayi beta-lactamase family protein 0.0037 0.0108 0.0107
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0047 0.0256
Schistosoma mansoni hypothetical protein 0.0048 0.0143 0.0141
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.0305 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3016 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1242 0.4108 0.4106
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0047 0.0041
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0108 0.0107
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0327 0.0326
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0108 0.0105
Brugia malayi RNA binding protein 0.0063 0.0194 0.0193
Schistosoma mansoni smad1 5 8 and 0.0009 0.0013 0.0011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0108 0.0105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0285 0.0283
Toxoplasma gondii exonuclease III APE 0.0019 0.0047 0.3796
Brugia malayi Pre-SET motif family protein 0.0032 0.0091 0.0091
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3016 1 1
Brugia malayi TAR-binding protein 0.0063 0.0194 0.0193
Brugia malayi beta-lactamase 0.0037 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.1242 0.4108 0.8764
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0028 0.0026
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.0305 0.372
Brugia malayi Thioredoxin reductase 0.0038 0.0111 0.011
Brugia malayi MH2 domain containing protein 0.0128 0.0409 0.0408
Brugia malayi MH1 domain containing protein 0.0009 0.0013 0.0013
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0047 0.0045
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0111 0.111
Schistosoma mansoni smad 0.0009 0.0013 0.0011
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.0097 0.0095
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0108 0.0171
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0285 0.0283
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0194 0.0191
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0013 0.0013
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0028 0.2343
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0097 0.8582
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0091 0.0089
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0815 0.2691 0.2689
Loa Loa (eye worm) Smad1 0.0009 0.0013 0.0013
Plasmodium falciparum thioredoxin reductase 0.0038 0.0111 0.9822
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0097 0.0095
Echinococcus granulosus geminin 0.017 0.055 0.0548
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0091 0.7361
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0113 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0108 0.008
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0108 0.0171
Echinococcus granulosus Smad4 0.0009 0.0013 0.0011
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0013 0.0011
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0111 0.011
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3016 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0047 0.0041
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0028 0.0028
Echinococcus multilocularis Niemann Pick C1 protein 0.1242 0.4108 0.4106
Echinococcus granulosus smad 0.0009 0.0013 0.0011
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0113 1
Leishmania major trypanothione reductase 0.0038 0.0111 0.0083
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.0731 0.073
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0108 0.008
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0091 0.0089
Loa Loa (eye worm) hypothetical protein 0.1242 0.4108 0.4108
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0047 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0143 0.0141
Brugia malayi glutathione reductase 0.0038 0.0111 0.011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0143 0.0141
Brugia malayi MH2 domain containing protein 0.0009 0.0013 0.0013
Toxoplasma gondii ABC1 family protein 0.0037 0.0108 0.8653
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0108 0.1069
Echinococcus granulosus Niemann Pick C1 protein 0.1242 0.4108 0.4106
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Mycobacterium tuberculosis Conserved protein 0.0037 0.0108 0.1069
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0194 0.0193
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0088 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0108 0.8653
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1415 0.4683 1
Onchocerca volvulus 0.0256 0.0834 1
Brugia malayi CHE-14 protein 0.1242 0.4108 0.4108
Plasmodium vivax SET domain protein, putative 0.0032 0.0091 0.7361
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0091 0.0089
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0107
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3016 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0028 0.0026
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0194 0.0191
Schistosoma mansoni ap endonuclease 0.0019 0.0047 0.0045
Schistosoma mansoni hypothetical protein 0.0103 0.0327 0.0325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0091 0.0089
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0097 0.7803
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0108 0.0105
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0097 0.0095
Echinococcus multilocularis GPCR, family 2 0.0048 0.0143 0.0141
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0097 0.7803
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.0097 0.0095
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.0272 0.3287
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3016 1 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0097 0.0095
Onchocerca volvulus 0.0037 0.0108 0.1265
Echinococcus multilocularis geminin 0.017 0.055 0.0548
Mycobacterium ulcerans hypothetical protein 0.0037 0.0108 0.008
Schistosoma mansoni hypothetical protein 0.017 0.055 0.0548
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0028 0.2266
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0112 0.011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0028 0.0026
Loa Loa (eye worm) RNA binding protein 0.0063 0.0194 0.0193
Loa Loa (eye worm) beta-lactamase 0.0037 0.0108 0.0107
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0194 0.0191
Plasmodium vivax hypothetical protein, conserved 0.0005 0.0002 0.0185
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0285 0.0285
Echinococcus granulosus tar DNA binding protein 0.0063 0.0194 0.0191
Trichomonas vaginalis set domain proteins, putative 0.0256 0.0834 0.1731
Trypanosoma brucei trypanothione reductase 0.0038 0.0111 0.0108
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0108 0.0105

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 ug ml-1 Cytotoxicity against human HL60 cells ChEMBL. 18826276

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18826276

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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