Detailed information for compound 1134910

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.476 | Formula: C24H28O5
  • H donors: 0 H acceptors: 3 LogP: 2.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1O[C@@H]2C=C1/C=C/[C@H]1C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C
  • InChi: 1S/C24H28O5/c1-12-10-15(25)20-23(2,3)8-5-9-24(20,4)14(12)7-6-13-11-16-17-18(19(13)28-16)22(27)29-21(17)26/h6-7,10-11,14,16-20H,5,8-9H2,1-4H3/b7-6+/t14-,16+,17-,18-,19+,20-,24+/m0/s1
  • InChiKey: WKGJKGLZMOYISD-IWYQCPQHSA-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 microtubule associated protein 2 0.0792 0.4641 0.4631
Plasmodium vivax multidomain scavenger receptor, putative 0.011 0.0524 0.1338
Loa Loa (eye worm) hypothetical protein 0.0028 0.0032 0.0087
Toxoplasma gondii ABC1 family protein 0.0038 0.0093 0.0234
Trypanosoma cruzi trypanothione reductase, putative 0.0142 0.072 1
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0042 0.0119 0.0214
Echinococcus multilocularis Niemann Pick C1 protein 0.0162 0.0843 0.0825
Schistosoma mansoni hypothetical protein 0.0042 0.0119 0.0189
Echinococcus multilocularis heat shock protein 0.0033 0.006 0.004
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0078 0.0219
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.036 0.2035 0.5193
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Echinococcus granulosus delta aminolevulinic acid dehydratase 0.0671 0.3909 0.8415
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.036 0.2035 1
Mycobacterium tuberculosis Probable delta-aminolevulinic acid dehydratase HemB (porphobilinogen synthase) (ALAD) (ALADH) 0.0342 0.1924 0.9449
Loa Loa (eye worm) hypothetical protein 0.0024 0.0011 0.0027
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0078 0.1079
Entamoeba histolytica hypothetical protein 0.0076 0.0323 0.5874
Loa Loa (eye worm) hypothetical protein 0.0049 0.0158 0.0448
Onchocerca volvulus 0.0038 0.0093 0.0342
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0324 0.1817 0.8923
Chlamydia trachomatis delta-aminolevulinic acid dehydratase 0.0671 0.3909 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.056 0.1145
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Mycobacterium tuberculosis Conserved protein 0.0038 0.0093 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0053 0.0184 0.033
Brugia malayi Thioredoxin reductase 0.0142 0.072 0.2057
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0093 0.0265
Trypanosoma cruzi heat shock protein 90, putative 0.0033 0.006 0.0835
Schistosoma mansoni hypothetical protein 0.0042 0.0119 0.0189
Schistosoma mansoni hypothetical protein 0.0092 0.0415 0.0832
Trypanosoma brucei glucosidase, putative 0.0079 0.0339 0.4697
Brugia malayi hypothetical protein 0.011 0.0524 0.1496
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0093 0.021
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0355 0.2006 0.5737
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0324 0.1817 0.8923
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Echinococcus multilocularis RUN 0.011 0.0524 0.0505
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0041 0.0116
Echinococcus multilocularis snurportin 1 0.0298 0.1659 0.1642
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.016 0.2228
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0049 0.016 0.2228
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0041 0.0112
Mycobacterium tuberculosis Conserved protein 0.0038 0.0093 0.0404
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0079 0.0339 0.097
Echinococcus granulosus heat shock protein 0.0033 0.006 0.0087
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0011 0.0027
Loa Loa (eye worm) heat shock protein 90 0.0033 0.006 0.0168
Schistosoma mansoni alpha-glucosidase 0.0306 0.1707 0.3635
Loa Loa (eye worm) hypothetical protein 0.006 0.0224 0.0637
Schistosoma mansoni loxhd1 0.011 0.0524 0.1068
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0041 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0078 0.0222
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0078 0.1415
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0001 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0712 0.1476
Loa Loa (eye worm) hypothetical protein 0.011 0.0524 0.1496
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0158 0.0138
Loa Loa (eye worm) latrophilin receptor protein 2 0.0042 0.0119 0.0337
Echinococcus granulosus snurportin 1 0.0298 0.1659 0.3547
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0042 0.0119 0.0099
Mycobacterium ulcerans beta-lactamase 0.0038 0.0093 0.021
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0323 0.0631
Schistosoma mansoni heat shock protein 0.0033 0.006 0.0061
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0184 0.033
Trichomonas vaginalis set domain proteins, putative 0.0421 0.2404 0.6877
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0053 0.0184 0.0467
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0093 0.1287
Toxoplasma gondii heat shock protein 90, putative 0.0033 0.006 0.015
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0093 0.0157
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0093 0.0261
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0053 0.0184 0.0164
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0032 0.0424
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0093 0.0265
Leishmania major hypothetical protein, conserved 0.0038 0.0093 0.1287
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0032 0.0424
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.0549 0.053
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0078 0.0195
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0324 0.1817 0.8923
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Brugia malayi Importin beta-1 subunit 0.0028 0.0032 0.0087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0184 0.033
Schistosoma mansoni polycystin 1-related 0.011 0.0524 0.1068
Echinococcus granulosus heat shock protein 90 0.0033 0.006 0.0087
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0078 0.1079
Toxoplasma gondii parasite porphobilinogen synthase PBGS 0.0671 0.3909 1
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Mycobacterium leprae Probable lipase LipE 0.0038 0.0093 0.021
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Echinococcus granulosus transcription factor btf3 0.0036 0.0078 0.0125
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0298 0.1659 0.4745
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0036 0.0082 0.023
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0184 0.0354
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.006 0.0817
Brugia malayi beta-lactamase family protein 0.0038 0.0093 0.0261
Plasmodium falciparum heat shock protein 90 0.0033 0.006 0.015
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.0549 0.1568
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0093 0.1271
Leishmania major alpha glucosidase II subunit, putative 0.0079 0.0339 0.4707
Schistosoma mansoni hypothetical protein 0.0736 0.4304 0.9267
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0339 0.4707
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0011 0.0198
Schistosoma mansoni microtubule-associated protein tau 0.0792 0.4641 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0712 0.0693
Schistosoma mansoni porphobilinogen synthase 0.0671 0.3909 0.8411
Plasmodium vivax SET domain protein, putative 0.0053 0.0184 0.0467
Echinococcus multilocularis delta aminolevulinic acid dehydratase 0.0671 0.3909 0.3897
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.0549 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0026 0.002 0.0024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.0712 0.2034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0184 0.033
Loa Loa (eye worm) hypothetical protein 0.0134 0.0671 0.1915
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0049 0.016 0.0279
Loa Loa (eye worm) hypothetical protein 0.0024 0.0011 0.0027
Echinococcus multilocularis lipoxygenase domain containing protein 0.011 0.0524 0.0505
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0093 0.0404
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0049 0.016 0.0455
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.0712 0.2034
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0079 0.0339 0.097
Echinococcus multilocularis transcription factor btf3 0.0036 0.0078 0.0058
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0158 0.0298
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0049 0.016 0.0384
Trichomonas vaginalis glutathione reductase, putative 0.0049 0.016 0.0459
Echinococcus granulosus GPCR family 2 0.0042 0.0119 0.0214
Brugia malayi MH2 domain containing protein 0.0216 0.1168 0.334
Leishmania major hypothetical protein, conserved 0.0023 0.0001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0053 0.0184 0.0522
Loa Loa (eye worm) glutaminase 2 0.0602 0.3495 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0093 0.0404
Trichomonas vaginalis heat shock protein, putative 0.0033 0.006 0.0172
Trichomonas vaginalis heat shock protein, putative 0.0026 0.002 0.0057
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0323 0.0655
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0093 0.0404
Loa Loa (eye worm) hypothetical protein 0.0092 0.0415 0.1185
Mycobacterium ulcerans lipase LipD 0.0038 0.0093 0.021
Echinococcus granulosus lipoxygenase domain containing protein 0.011 0.0524 0.109
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.0339 0.097
Loa Loa (eye worm) doublecortin family protein 0.011 0.0524 0.1496
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0445 0.2546 0.5466
Plasmodium falciparum thioredoxin reductase 0.0049 0.016 0.0407
Trichomonas vaginalis maltase-glucoamylase, putative 0.0079 0.0339 0.097
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0079 0.0339 0.0864
Loa Loa (eye worm) hypothetical protein 0.011 0.0524 0.1496
Giardia lamblia NADH oxidase lateral transfer candidate 0.0049 0.016 1
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0158 0.0298
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0078 0.0222
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0093 0.0234
Brugia malayi Latrophilin receptor protein 2 0.0042 0.0119 0.0337
Brugia malayi Pre-SET motif family protein 0.0053 0.0184 0.0522
Trichomonas vaginalis heat shock protein, putative 0.0026 0.002 0.0057
Brugia malayi beta-lactamase family protein 0.0038 0.0093 0.0261
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0078 0.1062
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0078 0.0195
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0142 0.072 0.3503
Schistosoma mansoni hypothetical protein 0.011 0.0524 0.1068
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.1327 0.6502
Echinococcus granulosus Polycystic kidney disease protein 0.011 0.0524 0.109
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0011 0.0027
Brugia malayi heat shock protein 90 0.0033 0.006 0.0168
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.016 0.0361
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Brugia malayi latrophilin 2 splice variant baaae 0.0092 0.0415 0.1185
Echinococcus granulosus microtubule associated protein 2 0.0792 0.4641 1
Plasmodium falciparum thioredoxin reductase 0.0142 0.072 0.1839
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0041 0.0565
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0079 0.0339 0.6173
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.006 0.0835
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0041 0.0116
Schistosoma mansoni hypothetical protein 0.0047 0.0147 0.025
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Loa Loa (eye worm) thioredoxin reductase 0.0142 0.072 0.2057
Brugia malayi Pre-SET motif family protein 0.037 0.2095 0.5993
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0051 0.0172 0.0329
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0049 0.016 0.2228
Plasmodium falciparum glutathione reductase 0.0142 0.072 0.1839
Echinococcus granulosus lysosomal alpha glucosidase 0.0355 0.2006 0.4297
Schistosoma mansoni hypothetical protein 0.0076 0.0323 0.0631
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0042 0.0119 0.0099
Echinococcus multilocularis protein dispatched 1 0.0056 0.0199 0.018
Loa Loa (eye worm) glutaminase 0.0602 0.3495 1
Toxoplasma gondii heat shock protein HSP90 0.0033 0.006 0.015
Onchocerca volvulus 0.0053 0.0184 0.0722
Echinococcus multilocularis heat shock protein 90 0.0033 0.006 0.004
Mycobacterium leprae PROBABLE DELTA-AMINOLEVULINIC ACID DEHYDRATASE HEMB (PORPHOBILINOGEN SYNTHASE) (ALAD) (ALADH) 0.0671 0.3909 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0041 0.0112
Onchocerca volvulus 0.011 0.0524 0.2144
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0011 0.0151
Trichomonas vaginalis maltase-glucoamylase, putative 0.0029 0.0041 0.0116
Plasmodium vivax endoplasmin, putative 0.0033 0.006 0.015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0324 0.1817 0.8923
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0049 0.016 0.0407
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.006 0.0817
Loa Loa (eye worm) hypothetical protein 0.0114 0.0549 0.1568
Leishmania major basic transcription factor 3a, putative 0.0036 0.0078 0.1079
Schistosoma mansoni porphobilinogen synthase 0.0671 0.3909 0.8411
Brugia malayi CHE-14 protein 0.0049 0.0158 0.0448
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0184 0.0164
Mycobacterium ulcerans delta-aminolevulinic acid dehydratase 0.0671 0.3909 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0041 0.074
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.0339 0.097
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0011 0.0151
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0093 0.0404
Echinococcus granulosus Niemann Pick C1 protein 0.0162 0.0843 0.1781
Schistosoma mansoni lipoxygenase 0.0248 0.1357 0.2876
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0712 0.0693
Brugia malayi Endoplasmin precursor 0.0033 0.006 0.0168
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0026 0.002 0.0279
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.006 0.1095
Loa Loa (eye worm) transcription factor SMAD2 0.0216 0.1168 0.334
Mycobacterium tuberculosis Probable dehydrogenase 0.0324 0.1817 0.8923
Echinococcus multilocularis protein patched 0.0049 0.0158 0.0138
Loa Loa (eye worm) MH2 domain-containing protein 0.0216 0.1168 0.334
Trichomonas vaginalis esterase, putative 0.0038 0.0093 0.0265
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0049 0.016 0.0384
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.006 0.0835
Brugia malayi hypothetical protein 0.0076 0.0323 0.0919
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0041 0.0116
Schistosoma mansoni patched 1 0.0049 0.0158 0.0273
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0323 0.0303
Mycobacterium ulcerans glutaminase 0.0602 0.3495 0.8939
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0041 0.0116
Echinococcus multilocularis geminin 0.0736 0.4304 0.4292
Echinococcus multilocularis GPCR, family 2 0.0042 0.0119 0.0099
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.0339 0.097
Echinococcus granulosus geminin 0.0736 0.4304 0.9269
Plasmodium vivax heat shock protein 86, putative 0.0033 0.006 0.015
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0001 0.0019
Onchocerca volvulus 0.0206 0.1103 0.4562
Schistosoma mansoni hypothetical protein 0.0042 0.0119 0.0189
Toxoplasma gondii thioredoxin reductase 0.0142 0.072 0.1839
Echinococcus multilocularis thioredoxin glutathione reductase 0.0143 0.0723 0.0705
Brugia malayi Glycosyl hydrolases family 31 protein 0.0079 0.0339 0.0966
Schistosoma mansoni lipoxygenase 0.0445 0.2546 0.5455
Echinococcus granulosus importin subunit beta 1 0.0028 0.0032 0.0025
Plasmodium vivax thioredoxin reductase, putative 0.0142 0.072 0.1839
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0042 0.0119 0.0214
Mycobacterium ulcerans heat shock protein 90 0.0026 0.002 0.0024
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0049 0.016 0.2228
Toxoplasma gondii NADPH-glutathione reductase 0.0049 0.016 0.0407
Onchocerca volvulus 0.0421 0.2404 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0134 0.0671 0.1915
Brugia malayi RNA, U transporter 1 0.0079 0.0342 0.0975
Schistosoma mansoni hypothetical protein 0.0042 0.0119 0.0189
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0079 0.0339 0.0966
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.037 0.2095 0.5993
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0712 0.1497
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Schistosoma mansoni transcription factor btf3 0.0036 0.0078 0.01
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.0339 0.097
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Echinococcus granulosus thioredoxin glutathione reductase 0.0143 0.0723 0.1522
Loa Loa (eye worm) hypothetical protein 0.0024 0.0011 0.0027
Echinococcus granulosus expressed conserved protein 0.0107 0.0508 0.1055
Echinococcus multilocularis expressed conserved protein 0.0107 0.0508 0.0488
Schistosoma mansoni alpha-glucosidase 0.0306 0.1707 0.3635
Brugia malayi beta-lactamase 0.0038 0.0093 0.0261
Echinococcus multilocularis lysosomal alpha glucosidase 0.0355 0.2006 0.199
Loa Loa (eye worm) endoplasmin 0.0033 0.006 0.0168
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Onchocerca volvulus 0.011 0.0524 0.2144
Plasmodium falciparum LCCL domain-containing protein 0.011 0.0524 0.1338
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0339 0.4707
Echinococcus granulosus RUN 0.011 0.0524 0.109
Plasmodium falciparum porphobilinogen synthase 0.0671 0.3909 1
Plasmodium vivax delta-aminolevulinic acid dehydratase, putative 0.0671 0.3909 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0158 0.0448
Plasmodium vivax glutathione reductase, putative 0.0142 0.072 0.1839
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0032 0.0012
Treponema pallidum NADH oxidase 0.0049 0.016 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0049 0.016 0.2228
Mycobacterium ulcerans hypothetical protein 0.0038 0.0093 0.021
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0093 0.1287
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0078 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0712 0.1497
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0093 0.0073
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Trypanosoma brucei trypanothione reductase 0.0142 0.072 1
Schistosoma mansoni hypothetical protein 0.0047 0.0147 0.025
Schistosoma mansoni rab6-interacting 0.011 0.0524 0.1068
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.0261
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 0.006 0.2852
Trichomonas vaginalis heat shock protein, putative 0.0026 0.002 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0093 0.0132
Schistosoma mansoni heat shock protein 0.0033 0.006 0.0061
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0093 0.0132
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0079 0.0339 0.6173
Schistosoma mansoni hypothetical protein 0.0047 0.0147 0.025
Schistosoma mansoni hypothetical protein 0.0047 0.0147 0.025
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0041 0.0116
Echinococcus granulosus neutral alpha glucosidase AB 0.0079 0.0339 0.069
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.006 0.0835
Trichomonas vaginalis sucrase-isomaltase, putative 0.0079 0.0339 0.097
Mycobacterium tuberculosis Conserved protein 0.0038 0.0093 0.0404
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0041 0.0565
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0049 0.016 0.0407
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0049 0.016 0.0407
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0093 0.0261
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0036 0.0082 0.023
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0093 0.0265
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.0041 0.0124
Brugia malayi Glycosyl hydrolases family 31 protein 0.0355 0.2006 0.5737
Loa Loa (eye worm) beta-lactamase 0.0038 0.0093 0.0261
Onchocerca volvulus 0.0038 0.0093 0.0342
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0049 0.016 0.2213
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0093 0.021
Entamoeba histolytica hypothetical protein 0.0076 0.0323 0.5874
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0026 0.002 0.0045
Brugia malayi glutathione reductase 0.0142 0.072 0.2057
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.016 0.2228
Wolbachia endosymbiont of Brugia malayi delta-aminolevulinic acid dehydratase 0.0671 0.3909 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0049 0.016 0.0304
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0042 0.0119 0.0337
Plasmodium falciparum importin beta, putative 0.0028 0.0032 0.0078
Plasmodium falciparum glutathione reductase 0.0049 0.016 0.0407
Loa Loa (eye worm) glutathione reductase 0.0142 0.072 0.2057
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0049 0.016 0.0141
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0445 0.2546 0.2531
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0049 0.016 0.0384
Schistosoma mansoni glutaminase 0.0602 0.3495 0.7514
Loa Loa (eye worm) hypothetical protein 0.0042 0.0119 0.0337
Brugia malayi hypothetical protein 0.011 0.0524 0.1496
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0011 0.0198
Schistosoma mansoni rab6-interacting 0.011 0.0524 0.1068
Trypanosoma cruzi heat shock protein 85, putative 0.0026 0.002 0.0279
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0712 0.1476
Entamoeba histolytica hypothetical protein 0.0036 0.0078 0.1415
Plasmodium vivax importin-beta 2, putative 0.0028 0.0032 0.0078
Mycobacterium tuberculosis Probable oxidoreductase 0.036 0.2035 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0093 0.0265
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.006 0.1095
Schistosoma mansoni endoplasmin 0.0033 0.006 0.0061
Trypanosoma cruzi heat shock protein 90, putative 0.0026 0.002 0.0279
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0049 0.016 0.0407
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0093 0.021
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0049 0.016 0.2213
Brugia malayi glutaminase DH11.1 0.0602 0.3495 1
Leishmania major trypanothione reductase 0.0142 0.072 1
Echinococcus multilocularis Polycystic kidney disease protein 0.011 0.0524 0.0505
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0011 0.0151
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0093 0.0265
Onchocerca volvulus 0.0038 0.0093 0.0342
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.0549 0.1145
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 0.006 0.0835
Echinococcus multilocularis lysosomal alpha glucosidase 0.0355 0.2006 0.199
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0093 0.0404
Schistosoma mansoni hypothetical protein 0.0298 0.1659 0.353
Trichomonas vaginalis mercuric reductase, putative 0.0049 0.016 0.0459
Echinococcus multilocularis neutral alpha glucosidase AB 0.0079 0.0339 0.032
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0011 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0712 0.1476
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0134 0.0671 0.1915
Trypanosoma brucei Heat shock protein 83, putative 0.0033 0.006 0.0817
Brugia malayi Doublecortin family protein 0.011 0.0524 0.1496
Echinococcus multilocularis lipoxygenase domain containing protein 0.011 0.0524 0.0505
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0049 0.016 0.0407
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0093 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0158 0.0451
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0093 0.0404
Trypanosoma brucei heat shock protein, putative 0.0033 0.006 0.0817
Entamoeba histolytica hypothetical protein 0.0076 0.0323 0.5874
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Brugia malayi Calcitonin receptor-like protein seb-1 0.0134 0.0671 0.1915
Brugia malayi beta-NAC-like protein 0.0036 0.0078 0.0219
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0011 0.0198
Leishmania major heat shock protein 83-1 0.0033 0.006 0.0835
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0041 0.0547
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0041 0.0116
Trichomonas vaginalis glutaminase, putative 0.0602 0.3495 1
Entamoeba histolytica hypothetical protein 0.0076 0.0323 0.5874
Echinococcus granulosus lipoxygenase domain containing protein 0.011 0.0524 0.109
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0041 0.0565
Mycobacterium tuberculosis Probable reductase 0.0324 0.1817 0.8923
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0049 0.016 0.2213
Schistosoma mansoni alpha glucosidase 0.0079 0.0339 0.0666
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0049 0.016 0.2213
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.016 0.0361
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0049 0.016 0.0739
Schistosoma mansoni hypothetical protein 0.0736 0.4304 0.9267
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0078 0.0222
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0032 0.0078
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.0339 0.097
Schistosoma mansoni endoplasmin 0.0033 0.006 0.0061
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.036 0.2035 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0324 0.1817 0.4634

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 16.94 ug ml-1 Cytotoxicity against human HL60 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 17.02 ug ml-1 Cytotoxicity against human MCF7 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 20.04 ug ml-1 Cytotoxicity against human A375 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 21.73 ug ml-1 Cytotoxicity against human HL60 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 23.18 ug ml-1 Cytotoxicity against human MCF7 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 27.84 ug ml-1 Cytotoxicity against human A375 cells after 24 hrs ChEMBL. 20303755
IC50 (functional) = 36.42 ug ml-1 Cytotoxicity against human A549 cells after 24 hrs ChEMBL. 20303755

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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