Detailed information for compound 1017402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.433 | Formula: C20H28O6
  • H donors: 4 H acceptors: 5 LogP: 0.02 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@]1(C)CC[C@@H]([C@@]23[C@@H]1[C@H](O)[C@](O)(OC2)[C@]12[C@H]3CC[C@H](C1)C(=C)C2=O)O
  • InChi: 1S/C20H28O6/c1-10-11-3-4-12-18-9-26-20(25,19(12,7-11)15(10)23)16(24)14(18)17(2,8-21)6-5-13(18)22/h11-14,16,21-22,24-25H,1,3-9H2,2H3/t11-,12+,13+,14-,16+,17-,18-,19+,20+/m1/s1
  • InChiKey: QLHPKYOLEZSDEB-RTVBOLJZSA-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) hypoxia-induced factor 1 0.015 0.0362 0.0362
Mycobacterium ulcerans lipoprotein LpqD 0.0057 0.0084 0.0108
Onchocerca volvulus Huntingtin homolog 0.0127 0.0296 0.0294
Mycobacterium ulcerans phosphoglycerate mutase 0.0057 0.0084 0.0108
Echinococcus multilocularis microtubule associated protein 2 0.1521 0.4472 0.4471
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0112 0.1419
Loa Loa (eye worm) cytochrome P450 family protein 0.0094 0.0197 0.0197
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Mycobacterium leprae conserved hypothetical protein 0.0057 0.0084 1
Mycobacterium tuberculosis Conserved protein 0.0057 0.0084 0.0959
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0056 0.0055
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0112 0.011
Leishmania major hypothetical protein, conserved 0.0057 0.0084 0.0058
Schistosoma mansoni hypothetical protein 0.0038 0.0028 0.0027
Schistosoma mansoni microtubule-associated protein tau 0.1521 0.4472 0.4471
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0038 0.0028 0.0037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.0144 0.0144
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0038 0.0028 0.0012
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0034 0.0017 0.0015
Onchocerca volvulus 0.0057 0.0084 0.0082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0056 0.0426
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3366 1 1
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Mycobacterium leprae conserved hypothetical protein 0.0057 0.0084 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0057 0.0084 0.0401
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.045 0.0449
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0038 0.0028 0.0002
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.0672 0.0672
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0136 0.1049
Loa Loa (eye worm) RNA binding protein 0.0069 0.012 0.012
Mycobacterium ulcerans hypothetical protein 0.1987 0.5866 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0038 0.0028 0.0002
Plasmodium falciparum protein serine/threonine kinase-1 0.0179 0.045 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1436 0.4218 0.4202
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0112 0.2022
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0179 0.045 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.0144 0.0142
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0057 0.0084 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0066 0.011 0.0108
Onchocerca volvulus 0.0057 0.0084 0.0082
Schistosoma mansoni hypothetical protein 0.0034 0.0017 0.0015
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0179 0.045 0.0426
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.011 0.0108
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Brugia malayi PAS domain containing protein 0.0048 0.0059 0.0443
Echinococcus multilocularis tumor protein p63 0.0336 0.092 0.0918
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0057 0.0084 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0084 0.0401
Toxoplasma gondii phosphoglycerate mutase family protein 0.0057 0.0084 0.1366
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0112 0.0155
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0179 0.045 0.045
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0057 0.0084 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0038 0.0028 0.0037
Leishmania major protein kinase, putative 0.0179 0.045 0.0426
Loa Loa (eye worm) hypothetical protein 0.0074 0.0136 0.0136
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3366 1 1
Leishmania major cytochrome p450-like protein 0.0038 0.0028 0.0002
Echinococcus granulosus single minded 2 0.0036 0.0021 0.0019
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3366 1 1
Schistosoma mansoni phosphoglycerate mutase 0.0057 0.0084 0.0082
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0017 0.0117
Schistosoma mansoni hypothetical protein 0.0034 0.0017 0.0015
Schistosoma mansoni hypothetical protein 0.0037 0.0026 0.0024
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0038 0.0028 0.0012
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0057 0.0084 1
Brugia malayi Protein kinase domain containing protein 0.0179 0.045 0.3497
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.011 0.0108
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0017 0.0015
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1436 0.4218 0.4202
Toxoplasma gondii phosphoglycerate mutase family protein 0.0057 0.0084 0.1366
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.0144 0.0142
Leishmania major hypothetical protein, conserved 0.0057 0.0084 0.0058
Treponema pallidum phosphoglyceromutase 0.0057 0.0084 0.5
Echinococcus multilocularis muscleblind protein 1 0.0174 0.0435 0.0433
Brugia malayi Pre-SET motif family protein 0.0066 0.011 0.0845
Brugia malayi cytochrome P450 0.0038 0.0028 0.0207
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3366 1 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.012 0.0119
Mycobacterium ulcerans phosphoglycerate mutase 0.0057 0.0084 0.0108
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.012 0.0925
Echinococcus multilocularis dual specificity protein kinase clk2 0.0179 0.045 0.0449
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0057 0.0084 0.0058
Trypanosoma brucei phosphoglycerate mutase, putative 0.0057 0.0084 0.0058
Loa Loa (eye worm) CYP4Cod1 0.0055 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0162 0.04 0.04
Schistosoma mansoni hypothetical protein 0.0184 0.0466 0.0465
Schistosoma mansoni tar DNA-binding protein 0.0069 0.012 0.0119
Loa Loa (eye worm) hypothetical protein 0.0174 0.0435 0.0435
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0057 0.0084 0.0058
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.0144 0.0118
Onchocerca volvulus Protein UBASH3A homolog 0.0057 0.0084 0.0082
Brugia malayi hypothetical protein 0.0037 0.0026 0.0189
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0144 0.0118
Brugia malayi hypothetical protein 0.0127 0.0296 0.2291
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0458 0.1285 0.1285
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0038 0.0028 0.0012
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0038 0.0028 0.0037
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0218 0.1327
Brugia malayi TAR-binding protein 0.0069 0.012 0.0925
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0038 0.0028 0.0012
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0038 0.0028 0.0012
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0179 0.045 0.0426
Onchocerca volvulus Huntingtin homolog 0.0127 0.0296 0.0294
Echinococcus multilocularis geminin 0.0184 0.0466 0.0465
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0056 0.0055
Leishmania major hypothetical protein, conserved 0.0057 0.0084 0.0058
Mycobacterium ulcerans phosphoglyceromutase 0.0057 0.0084 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0056 0.0055
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.0631 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1436 0.4218 0.4202
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0084 0.0082
Loa Loa (eye worm) hypothetical protein 0.0057 0.0084 0.0084
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0057 0.0084 0.0058
Mycobacterium ulcerans lipase LipD 0.0037 0.0026 0.0009
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0038 0.0028 0.0012
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.0144 0.1108
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0038 0.0028 0.0012
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0218 0.1327
Schistosoma mansoni hypothetical protein 0.0034 0.0017 0.0015
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0026 0.0024
Echinococcus multilocularis neuropeptide receptor 0.0175 0.0439 0.0437
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0038 0.0028 0.0037
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0066 0.011 0.1982
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0059 0.0057
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0057 0.0084 0.1366
Mycobacterium ulcerans acid phosphatase 0.0057 0.0084 0.0108
Leishmania major phosphoglycerate mutase, putative 0.0057 0.0084 0.0058
Brugia malayi phosphoglycerate mutase family protein 0.0057 0.0084 0.0641
Trypanosoma cruzi cytochrome P450, putative 0.0055 0.0079 0.0054
Echinococcus multilocularis 0.0038 0.0028 0.0027
Brugia malayi Pre-SET motif family protein 0.0457 0.1283 0.9983
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0057 0.0084 0.0099
Mycobacterium tuberculosis Conserved protein 0.0057 0.0084 0.0959
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Brugia malayi follicle stimulating hormone receptor 0.0458 0.1285 1
Onchocerca volvulus 0.005 0.0064 0.0062
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0057 0.0084 0.0082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0112 0.0155
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.011 0.0108
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0038 0.0028 0.0012
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0026 0.0189
Onchocerca volvulus 0.0066 0.011 0.0108
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1436 0.4218 0.4202
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Echinococcus granulosus mitogen activated protein kinase 3 0.0102 0.0218 0.0216
Echinococcus multilocularis phosphoglycerate mutase 0.0057 0.0084 0.0082
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0038 0.0028 0.0037
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0102 0.0218 0.0192
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0057 0.0084 0.0058
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0057 0.0084 0.0401
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0026 0.0009
Mycobacterium leprae probable isochorismate synthase EntC 0.0057 0.0084 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0026 0.0024
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0038 0.0028 0.0012
Loa Loa (eye worm) hypothetical protein 0.3309 0.983 0.983
Echinococcus granulosus hypothetical protein 0.0177 0.0444 0.0442
Schistosoma mansoni phosphoglycerate mutase 0.0057 0.0084 0.0082
Loa Loa (eye worm) hypothetical protein 0.0177 0.0444 0.0444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0056 0.0055
Loa Loa (eye worm) hypothetical protein 0.0109 0.0239 0.0239
Mycobacterium ulcerans hypothetical protein 0.0057 0.0084 0.0108
Loa Loa (eye worm) hypothetical protein 0.0057 0.0084 0.0084
Echinococcus multilocularis mitogen activated protein kinase 3 0.0102 0.0218 0.0216
Loa Loa (eye worm) hypothetical protein 0.0057 0.0084 0.0084
Echinococcus multilocularis G protein coupled receptor 139 0.0175 0.0439 0.0437
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0038 0.0028 0.0012
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0038 0.0028 0.0012
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3309 0.983 0.9829
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0038 0.0028 0.0012
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0026 0.0024
Mycobacterium ulcerans hypothetical protein 0.0057 0.0084 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0239 0.0239
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0026 0.0026
Echinococcus granulosus tumor protein p63 0.0336 0.092 0.0918
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0457 0.1283 0.1283
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0057 0.0084 0.0959
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0038 0.0028 0.0002
Trypanosoma brucei glycerolphosphate mutase, putative 0.0057 0.0084 0.0058
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0084 0.0082
Plasmodium vivax phosphoglucomutase-2, putative 0.0057 0.0084 0.1366
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0102 0.0218 0.0192
Schistosoma mansoni hypothetical protein 0.0074 0.0136 0.0135
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0057 0.0084 0.0058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0057 0.0084 0.0959
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0057 0.0084 0.0058
Loa Loa (eye worm) hypothetical protein 0.0127 0.0296 0.0296
Echinococcus granulosus mitogen activated protein kinase 0.0102 0.0218 0.0216
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.0651 0.0649
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0038 0.0028 0.0037
Giardia lamblia Hypothetical protein 0.1987 0.5866 1
Onchocerca volvulus 0.052 0.1472 0.1471
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0056 0.0055
Mycobacterium leprae conserved hypothetical protein 0.0057 0.0084 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0057 0.0084 0.0401
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.012 0.012
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0057 0.0084 0.0058
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0057 0.0084 0.0099
Loa Loa (eye worm) hypothetical protein 0.0246 0.0651 0.0651
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0057 0.0084 0.5
Echinococcus granulosus geminin 0.0184 0.0466 0.0465
Brugia malayi UBASH3A protein homolog 0.0057 0.0084 0.0641
Brugia malayi Cytochrome P450 family protein 0.0094 0.0197 0.152
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0102 0.0218 0.452
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.0672 0.0672
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0102 0.0218 0.0192
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0026 0.0024
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0112 0.0086
Trypanosoma brucei protein kinase, putative 0.0102 0.0218 0.0192
Schistosoma mansoni survival motor neuron protein 0.005 0.0064 0.0062
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0038 0.0028 0.0037
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0102 0.0218 0.0192
Onchocerca volvulus 0.0037 0.0026 0.0024
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0057 0.0084 0.0401
Onchocerca volvulus Protein UBASH3A homolog 0.0057 0.0084 0.0082
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0112 0.011
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0144 0.0118
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0084 0.0401
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0038 0.0028 0.0037
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0026 0.0024
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0038 0.0028 0.0012
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0057 0.0084 0.0082
Echinococcus multilocularis 0.0177 0.0444 0.0442
Plasmodium vivax serine/threonine kinase-1, putative 0.0179 0.045 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0017 0.0015
Onchocerca volvulus Protein UBASH3A homolog 0.0057 0.0084 0.0082
Giardia lamblia Kinase, CMGC CLK 0.0179 0.045 0.0412
Loa Loa (eye worm) hypothetical protein 0.0174 0.0435 0.0435
Onchocerca volvulus Protein UBASH3A homolog 0.0057 0.0084 0.0082
Onchocerca volvulus 0.3366 1 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0038 0.0028 0.0012
Echinococcus multilocularis muscleblind protein 0.0174 0.0435 0.0433
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0057 0.0084 0.0959
Echinococcus granulosus dual specificity protein kinase clk2 0.0179 0.045 0.0449
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0084 0.0082
Brugia malayi hypoxia-induced factor 1 0.015 0.0362 0.2808
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0038 0.0028 0.0012
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0055 0.0079 0.01
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0218 0.1327
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0026 0.0024
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.045 0.2935
Brugia malayi Cytochrome P450 family protein 0.0055 0.0079 0.0606
Onchocerca volvulus 0.0037 0.0026 0.0024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0017 0.0015
Brugia malayi hypothetical protein 0.0246 0.0651 0.506
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0038 0.0028 0.0037
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0057 0.0084 0.0058
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0057 0.0084 0.0959
Schistosoma mansoni neuropeptide receptor 0.0175 0.0439 0.0437
Echinococcus multilocularis mitogen activated protein kinase 0.0102 0.0218 0.0216
Plasmodium vivax phosphoglycerate mutase, putative 0.0057 0.0084 0.1366
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0218 0.1327
Leishmania major cytochrome p450-like protein 0.0055 0.0079 0.0054
Leishmania major hypothetical protein, unknown function 0.0057 0.0084 0.0058
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.0144 0.0202
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0002 0.0002
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0038 0.0028 0.0037
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Brugia malayi Muscleblind-like protein 0.0174 0.0435 0.3374
Brugia malayi Cytochrome P450 family protein 0.0055 0.0079 0.0606
Trypanosoma brucei cytochrome P450, putative 0.0055 0.0079 0.0054
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0038 0.0028 0.0012
Brugia malayi Cytochrome P450 family protein 0.0038 0.0028 0.0207
Echinococcus granulosus tar DNA binding protein 0.0069 0.012 0.0119
Onchocerca volvulus 0.0049 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0029 0.0002 0.0002
Mycobacterium ulcerans beta-lactamase 0.0037 0.0026 0.0009
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3366 1 1
Echinococcus granulosus GPCR family 2 0.0034 0.0017 0.0015
Brugia malayi RNA binding protein 0.0069 0.012 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0069 0.012 0.0119
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0179 0.045 0.0426
Giardia lamblia Hypothetical protein 0.1987 0.5866 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0017 0.0015
Echinococcus granulosus histone lysine methyltransferase setb 0.0066 0.011 0.0108
Plasmodium vivax SET domain protein, putative 0.0066 0.011 0.1982
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0057 0.0084 0.0959
Mycobacterium leprae Possible phosphoglycerate mutase 0.0057 0.0084 1
Mycobacterium leprae Conserved hypothetical protein 0.0038 0.0028 0.0382
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0017 0.0117
Loa Loa (eye worm) hypothetical protein 0.0066 0.011 0.011
Brugia malayi MAP kinase sur-1 0.0102 0.0218 0.1684
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0038 0.0028 0.0037
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0057 0.0084 0.0058
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0021 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0056 0.0055
Echinococcus granulosus neuropeptide receptor 0.0175 0.0439 0.0437
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.0651 0.0649
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0844 0.2442 0.2441
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0102 0.0218 0.0192
Leishmania major cytochrome p450-like protein 0.0038 0.0028 0.0002
Mycobacterium leprae putative cytochrome p450 0.0038 0.0028 0.0382
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0057 0.0084 0.0082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0239 0.1852
Echinococcus granulosus microtubule associated protein 2 0.1521 0.4472 0.4471
Brugia malayi beta-lactamase 0.0037 0.0026 0.0189
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0066 0.011 0.0108
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0026
Brugia malayi beta-lactamase family protein 0.0037 0.0026 0.0189
Schistosoma mansoni hypothetical protein 0.005 0.0064 0.0062
Loa Loa (eye worm) hypothetical protein 0.0057 0.0084 0.0084
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0102 0.0218 0.0192
Schistosoma mansoni cytochrome P450 0.0038 0.0028 0.0027
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0057 0.0084 0.0959
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0057 0.0084 0.0058
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0057 0.0084 0.0959
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0038 0.0028 0.0037
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0066 0.011 0.0108
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0057 0.0084 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0038 0.0028 0.0037
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0179 0.045 0.0426
Schistosoma mansoni single-minded 0.0048 0.0059 0.0057
Mycobacterium ulcerans hydrolase MutT1 0.0057 0.0084 0.0108
Leishmania major phosphoglycerate mutase protein, putative 0.0057 0.0084 0.0058
Brugia malayi hypothetical protein 0.0162 0.04 0.3102
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0057 0.0084 0.0401
Mycobacterium ulcerans hypothetical protein 0.0037 0.0026 0.0009
Schistosoma mansoni 6-phosphofructokinase 0.3366 1 1
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0057 0.0084 0.0108
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Onchocerca volvulus 0.0036 0.0021 0.0019
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0102 0.0218 0.0218
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0038 0.0028 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0038 0.0028 0.0037
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0057 0.0084 0.0058
Leishmania major protein kinase, putative 0.0179 0.045 0.0426
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0112 0.0155
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0179 0.045 0.0426
Onchocerca volvulus 0.0057 0.0084 0.0082
Loa Loa (eye worm) beta-lactamase 0.0037 0.0026 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0069 0.012 0.0119
Loa Loa (eye worm) hypothetical protein 0.3366 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0079 0.0079
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0057 0.0084 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0112 0.011
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0218 0.0216
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0038 0.0028 0.0037
Echinococcus multilocularis GPCR, family 2 0.0034 0.0017 0.0015
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3309 0.983 0.9829
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0064 0.0486
Toxoplasma gondii phosphoglycerate mutase family protein 0.0057 0.0084 0.1366
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0179 0.045 0.0426
Loa Loa (eye worm) TAR-binding protein 0.0069 0.012 0.012
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0026 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0056 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0038 0.0028 0.0037
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0061
Brugia malayi phosphoglycerate mutase family protein 0.0057 0.0084 0.0641
Loa Loa (eye worm) hypothetical protein 0.0034 0.0017 0.0017
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0038 0.0028 0.0012
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0084 0.0082
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0063 0.0103 0.0101
Brugia malayi MH2 domain containing protein 0.0253 0.0672 0.5226
Schistosoma mansoni hypothetical protein 0.0184 0.0466 0.0465
Onchocerca volvulus 0.0037 0.0026 0.0024
Toxoplasma gondii cytochrome p450 superfamily protein 0.0038 0.0028 0.0052
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0038 0.0028 0.0037
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0047 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0069 0.012 0.0119
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0057 0.0084 0.0108
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1987 0.5866 1
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.045 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0069 0.012 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0239 0.1852
Echinococcus granulosus muscleblind protein 0.0174 0.0435 0.0433
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0102 0.0218 0.0192
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0038 0.0028 0.0012
Leishmania major glycerolphosphate mutase, putative 0.0057 0.0084 0.0058
Loa Loa (eye worm) cytochrome P450 0.0038 0.0028 0.0028
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0057 0.0084 1
Toxoplasma gondii phosphoglycerate mutase 0.0057 0.0084 0.1366
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0038 0.0028 0.0037
Loa Loa (eye worm) hypothetical protein 0.193 0.5696 0.5696
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0021 0.015
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3309 0.983 0.9829
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0038 0.0028 0.0002
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0038 0.0028 0.0012
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0057 0.0084 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0038 0.0028 0.0037
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0047 0.0045
Brugia malayi beta-lactamase family protein 0.0037 0.0026 0.0189
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0057 0.0084 0.0099
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0057 0.0084 0.0058
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.0144 0.0142
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0038 0.0028 0.0012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0112 0.011
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0144 0.0118
Trypanosoma cruzi cytochrome P450, putative 0.0055 0.0079 0.0054
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3309 0.983 0.9829
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0026 0.0009
Trichomonas vaginalis set domain proteins, putative 0.052 0.1472 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0002 0.0002
Echinococcus granulosus cytochrome P450 2K1 0.0038 0.0028 0.0027
Loa Loa (eye worm) phosphoglycerate mutase 0.0057 0.0084 0.0084
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1987 0.5866 1
Schistosoma mansoni hypothetical protein 0.0057 0.0084 0.0082
Echinococcus granulosus phosphoglycerate mutase 0.0057 0.0084 0.0082
Loa Loa (eye worm) hypothetical protein 0.0127 0.0296 0.0296
Toxoplasma gondii phosphoglycerate mutase family protein 0.0057 0.0084 0.1366
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0038 0.0028 0.0037
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0017 0.0017
Leishmania major phosphoglycerate mutase family member 5, putative 0.0057 0.0084 0.0058

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.8 uM Cytotoxicity against human K562 cells after 72 hrs by SRB assay ChEMBL. 16643043

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 16643043

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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