Detailed information for compound 1044779

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 640.802 | Formula: C34H56O11
  • H donors: 2 H acceptors: 6 LogP: 4.33 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC(=O)O[C@H]1[C@H](C(C)C)[C@H]2[C@H]3O[C@@H]([C@H]2[C@]([C@@H]1OC(=O)C)(C)O)C[C@]([C@H](CC[C@@]3(C)OC(=O)CCC)OC(=O)CCC)(C)O
  • InChi: 1S/C34H56O11/c1-10-13-23(36)43-22-16-17-33(8,45-25(38)15-12-3)30-27-26(19(4)5)29(44-24(37)14-11-2)31(41-20(6)35)34(9,40)28(27)21(42-30)18-32(22,7)39/h19,21-22,26-31,39-40H,10-18H2,1-9H3/t21-,22+,26-,27-,28-,29+,30-,31-,32+,33-,34+/m1/s1
  • InChiKey: VHXIMQMYFMEVSV-GOLZJSJYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.026 0.0289
Mycobacterium ulcerans hypothetical protein 0.0187 0.1475 0.2559
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0811 0.0781
Brugia malayi Pre-SET motif family protein 0.0835 0.6942 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0136
Echinococcus multilocularis GPCR, family 2 0.0097 0.0716 0.1224
Brugia malayi Smad1 0.0024 0.0095 0.013
Echinococcus granulosus chromobox protein 1 0.0069 0.0478 0.0817
Leishmania major hypothetical protein, conserved 0.0187 0.1475 0.5837
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.012 0.0904 0.1545
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.01 0.0138
Brugia malayi Bromodomain containing protein 0.0029 0.0139 0.0194
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Schistosoma mansoni ran 0.0025 0.01 0.0172
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Schistosoma mansoni hypothetical protein 0.0097 0.0716 0.1224
Toxoplasma gondii pantoate-beta-alanine ligase 0.0684 0.567 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 0.2906 0.4183
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0047 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.01 0.0276
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.02 0.0678
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1475 0.5837
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0309 0.2503 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0099 0.0067
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0684 0.567 1
Brugia malayi Synaptic glycoprotein SC2 0.0043 0.026 0.0368
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0043 0.026 0.0404
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.026 0.1579
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.026 0.0922
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0136
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.069 0.0988
Mycobacterium tuberculosis Probable hydrolase 0.0187 0.1475 0.1447
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.026 0.0289
Brugia malayi jmjC domain containing protein 0.0095 0.0699 0.1001
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0246 0.0188
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.0716 0.1026
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.026 0.0289
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0191 0.0326
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0309 0.2503 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0401 0.0571
Echinococcus multilocularis Smad4 0.0024 0.0095 0.0162
Onchocerca volvulus 0.095 0.7915 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0913 0.0884
Mycobacterium tuberculosis Probable lipase LipD 0.0187 0.1475 0.1447
Schistosoma mansoni smad1 5 8 and 0.0024 0.0095 0.0162
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0047 0.0025
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.012 0.0904 0.1546
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.012 0.0904 0.1545
Entamoeba histolytica hypothetical protein 0.0027 0.0122 0.0096
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0118
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0221 1
Brugia malayi hypothetical protein 0.0018 0.0047 0.0062
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0099 0.0118
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Echinococcus granulosus importin subunit beta 1 0.0033 0.0175 0.0299
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0139 0.0237
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0043 0.026 0.0444
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0295 0.1064
Echinococcus granulosus beta LACTamase domain containing family member 0.0187 0.1475 0.252
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0047 0.0546
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.01 0.0172
Brugia malayi MH2 domain containing protein 0.0351 0.2859 0.4115
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0139 0.0237
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0684 0.567 0.5656
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0099 0.0067
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.026 0.0289
Brugia malayi Augmenter of liver regeneration 0.0036 0.02 0.0282
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.026 0.0922
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.0716 0.1224
Schistosoma mansoni kinase 0.0048 0.0298 0.0509
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.069 0.2662
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.012 0.0904 0.1545
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0236 0.1885 0.2711
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0191 0.0326
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0125 0.0118
Schistosoma mansoni ap endonuclease 0.0039 0.0221 0.0377
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0132 0.0692
Toxoplasma gondii ABC1 family protein 0.0187 0.1475 0.2559
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0139 0.0739
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0221 0.0239
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.012 0.0904 0.1545
Schistosoma mansoni chromobox protein 0.0069 0.0478 0.0817
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.026 0.8659
Schistosoma mansoni hypothetical protein 0.0705 0.5851 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0315 0.0447
Entamoeba histolytica hypothetical protein 0.0043 0.026 0.0671
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0175 0.0578
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0136
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0221 0.2865
Echinococcus multilocularis beta LACTamase domain containing family member 0.0187 0.1475 0.252
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0006
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0309 0.2503 0.3135
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.01 0.1038
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0221 0.0239
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0136
Echinococcus multilocularis peregrin 0.0029 0.0139 0.0237
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.069 0.2662
Brugia malayi Thioredoxin reductase 0.0048 0.0295 0.0419
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 0.02 0.0341
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.001 0.0008
Mycobacterium ulcerans beta-lactamase 0.0187 0.1475 0.2559
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0043 0.026 0.0444
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0043 0.026 0.0444
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.01 0.0172
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0047 0.0014
Brugia malayi beta-lactamase family protein 0.0187 0.1475 0.2119
Plasmodium vivax polyprenol reductase, putative 0.0043 0.026 0.1579
Echinococcus multilocularis synaptic glycoprotein sc2 0.0043 0.026 0.0444
Loa Loa (eye worm) glutathione reductase 0.0048 0.0295 0.0419
Schistosoma mansoni chromobox protein 0.0069 0.0478 0.0817
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0221 0.0763
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.1885 0.3222
Echinococcus granulosus GPCR family 2 0.0097 0.0716 0.1224
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0122 0.0113
Brugia malayi MH2 domain containing protein 0.0024 0.0095 0.013
Plasmodium vivax SET domain protein, putative 0.012 0.0904 0.6042
Echinococcus granulosus histone lysine methyltransferase setb 0.012 0.0904 0.1545
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.012 0.0904 0.1545
Echinococcus multilocularis chromobox protein 1 0.0069 0.0478 0.0817
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.069 0.1179
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0269
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.02 0.0678
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0061
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0295 0.0264
Brugia malayi Latrophilin receptor protein 2 0.0097 0.0716 0.1026
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1475 0.252
Loa Loa (eye worm) MH2 domain-containing protein 0.0351 0.2859 0.4115
Onchocerca volvulus 0.0131 0.1 0.1153
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0221 1
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0221 0.0312
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0309 0.2503 0.3135
Schistosoma mansoni hypothetical protein 0.0211 0.1672 0.2857
Loa Loa (eye worm) glutaminase 2 0.0273 0.22 0.3165
Schistosoma mansoni hypothetical protein 0.0097 0.0716 0.1224
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0811 0.0781
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0478 0.0683
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1475 0.183
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0309 0.2503 0.3135
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0167 0.0545
Mycobacterium tuberculosis Probable reductase 0.0109 0.0811 0.0781
Brugia malayi PHD-finger family protein 0.0029 0.0139 0.0194
Brugia malayi glutaminase DH11.1 0.0273 0.22 0.3165
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0061
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0295 0.1823
Plasmodium vivax glutathione reductase, putative 0.0048 0.0295 0.1823
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0221 0.0377
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0835 0.6942 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0095 0.013
Onchocerca volvulus 0.0187 0.1475 0.176
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0043 0.026 0.0444
Brugia malayi Importin beta-1 subunit 0.0033 0.0175 0.0246
Loa Loa (eye worm) beta-lactamase 0.0187 0.1475 0.2119
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0533 0.0911
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.1885 0.3222
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0122 0.0362
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0061
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0139 0.0237
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0187 0.1475 0.1447
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0095 0.0162
Schistosoma mansoni hypothetical protein 0.0097 0.0716 0.1224
Trichomonas vaginalis glutaminase, putative 0.0273 0.22 0.275
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0684 0.567 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.069 0.0988
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0287 0.0324
Brugia malayi latrophilin 2 splice variant baaae 0.0211 0.1672 0.2404
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0132 0.0404
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0309 0.2503 0.3602
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.0811 0.1278
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0913 0.1462
Mycobacterium tuberculosis Probable lipase LipE 0.0187 0.1475 0.1447
Mycobacterium ulcerans glutaminase 0.0273 0.22 0.3846
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.1885 0.3222
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0811 0.0781
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0125 0.0118
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.01 0.0473
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0221 0.0156
Plasmodium falciparum importin beta, putative 0.0033 0.0175 0.5429
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.02 0.0678
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0032 0.0055
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0006
Loa Loa (eye worm) Smad1 0.0024 0.0095 0.013
Echinococcus multilocularis expressed protein 0.0033 0.0173 0.0296
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0095 0.0162
Brugia malayi RNA, U transporter 1 0.0095 0.0695 0.0996
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0061
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0043 0.026 0.0671
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0167 0.0545
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0099 0.0118
Echinococcus granulosus peregrin 0.0029 0.0139 0.0237
Brugia malayi beta-lactamase family protein 0.0187 0.1475 0.2119
Schistosoma mansoni ran 0.0025 0.01 0.0172
Loa Loa (eye worm) hypothetical protein 0.0097 0.0716 0.1026
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0122 0.0113
Onchocerca volvulus 0.003 0.015 0.0066
Toxoplasma gondii exonuclease III APE 0.0039 0.0221 0.0334
Brugia malayi jmjC domain containing protein 0.0035 0.0191 0.0268
Trichomonas vaginalis set domain proteins, putative 0.095 0.7915 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0115 0.0867 0.1481
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0221 0.0334
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0139 0.0189
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.02 0.0678
Leishmania major importin beta-1 subunit, putative 0.0027 0.0122 0.0362
Loa Loa (eye worm) hypothetical protein 0.0309 0.2503 0.3602
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.01 0.2596
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0221 0.0239
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0699 0.1194
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0167 0.0284
Loa Loa (eye worm) hypothetical protein 0.0043 0.026 0.0368
Schistosoma mansoni hypothetical protein 0.0097 0.0716 0.1224
Schistosoma mansoni hypothetical protein 0.0029 0.0139 0.0237
Echinococcus granulosus synaptic glycoprotein sc2 0.0043 0.026 0.0444
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.069 0.1179
Onchocerca volvulus 0.0187 0.1475 0.176
Schistosoma mansoni smad1 5 8 and 0.0024 0.0095 0.0162
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0235 0.0402
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0287 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0173 0.0179
Schistosoma mansoni rotamase 0.0033 0.0173 0.0296
Schistosoma mansoni glutaminase 0.0273 0.22 0.3761
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0167 0.0239
Mycobacterium ulcerans hypothetical protein 0.0024 0.0099 0.0118
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0122 0.0113
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0309 0.2503 0.4383
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0043 0.026 0.0671
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0913 0.0884
Loa Loa (eye worm) hypothetical protein 0.0029 0.0139 0.0194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.1885 0.3222
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.069 0.0757
Brugia malayi glutathione reductase 0.0048 0.0295 0.0419
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0132 0.3794
Echinococcus multilocularis chromobox protein 1 0.0069 0.0478 0.0817
Mycobacterium leprae conserved hypothetical protein 0.0187 0.1475 0.247
Loa Loa (eye worm) hypothetical protein 0.0043 0.026 0.0368
Loa Loa (eye worm) hypothetical protein 0.0039 0.0221 0.0312
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.01 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0221 0.0239
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.069 0.0835
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0295 0.0504
Loa Loa (eye worm) hypothetical protein 0.0028 0.0132 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0131 0.1 0.1708
Mycobacterium ulcerans hypothetical protein 0.0309 0.2503 0.4383
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.069 0.246
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0187 0.1475 0.1447
Plasmodium vivax importin-beta 2, putative 0.0033 0.0175 0.099
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0221 0.0508
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0187 0.1475 0.2119
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0006
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0043 0.026 0.0404
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.001 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1475 0.183
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0191 0.0326
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1475 0.183
Echinococcus multilocularis smad 0.0024 0.0095 0.0162
Trichomonas vaginalis rotamase, putative 0.0033 0.0173 0.0179
Giardia lamblia Synaptic glycoprotein SC2 0.0043 0.026 0.3461
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1475 0.252
Toxoplasma gondii thioredoxin reductase 0.0048 0.0295 0.0466
Loa Loa (eye worm) transcription factor SMAD2 0.0351 0.2859 0.4115
Brugia malayi MH1 domain containing protein 0.0024 0.0095 0.013
Trichomonas vaginalis ran, putative 0.0025 0.01 0.0087
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.0716 0.1224
Trichomonas vaginalis rotamase, putative 0.0032 0.0167 0.0171
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0221 0.7167
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0132 0.0177
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0191 0.0326
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.1885 0.3222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0308 0.2495 0.3591
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0095 0.0162
Echinococcus granulosus Smad4 0.0024 0.0095 0.0162
Mycobacterium ulcerans lipase LipD 0.0187 0.1475 0.2559
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0187 0.1475 0.1447
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0811 0.0781
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0246 0.0271
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0099 0.0118
Brugia malayi Pre-SET motif family protein 0.012 0.0904 0.1296
Schistosoma mansoni smad1 5 8 and 0.0024 0.0095 0.0162
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.01 0.0276
Schistosoma mansoni hypothetical protein 0.0357 0.2906 0.4967
Loa Loa (eye worm) hypothetical protein 0.0211 0.1672 0.2404
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0221 0.0763
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0118
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 0.02 0.0282
Schistosoma mansoni ap endonuclease 0.0039 0.0221 0.0377
Entamoeba histolytica Ran family GTPase 0.0025 0.01 0.0008
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0139 0.0189
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0132 0.0404
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0221 0.0377
Brugia malayi MH1 domain containing protein 0.0024 0.0095 0.013
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0269
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0295 0.0504
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0061
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0167 0.0545
Brugia malayi Calcitonin receptor-like protein seb-1 0.0308 0.2495 0.3591
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0167 0.0545
Trypanosoma brucei hypothetical protein, conserved 0.0187 0.1475 0.5837
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.0716 0.1026
Schistosoma mansoni Smad4 0.0024 0.0095 0.0162
Echinococcus granulosus chromobox protein 1 0.0069 0.0478 0.0817
Mycobacterium tuberculosis Probable esterase LipL 0.0187 0.1475 0.1447
Loa Loa (eye worm) hypothetical protein 0.003 0.015 0.021
Giardia lamblia Kinase, PLK 0.0094 0.069 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.01 0.0138
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0221 0.0189
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0173 0.0244
Leishmania major hypothetical protein, conserved 0.0036 0.02 0.0678
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0221 0.1307
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0699 0.1194
Plasmodium falciparum polyprenol reductase, putative 0.0043 0.026 0.8659
Leishmania major GTP-binding protein, putative 0.0025 0.01 0.0276
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.02 0.1162
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.02 0.0297
Schistosoma mansoni hypothetical protein 0.0705 0.5851 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.026 0.0289
Loa Loa (eye worm) glutaminase 0.0273 0.22 0.3165
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0139 0.0194
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0811 0.0781
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.0716 0.1224
Brugia malayi beta-lactamase 0.0187 0.1475 0.2119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.1885 0.3222
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0032 0.0055
Echinococcus granulosus expressed protein 0.0033 0.0173 0.0296
Echinococcus multilocularis snurportin 1 0.0357 0.2906 0.4967
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0308 0.2495 0.3591
Loa Loa (eye worm) hypothetical protein 0.0033 0.0175 0.0246
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0478 0.0566
Trichomonas vaginalis esterase, putative 0.0187 0.1475 0.183
Brugia malayi hypothetical protein 0.0028 0.0132 0.0184
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0099 0.0118
Leishmania major trypanothione reductase 0.0048 0.0295 0.1064
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0175 0.0253
Echinococcus granulosus smad 0.0024 0.0095 0.0162
Onchocerca volvulus Alhambra homolog 0.0029 0.0139 0.0051
Brugia malayi chromobox protein homolog 3 0.0039 0.0221 0.0312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0221 0.0312
Mycobacterium tuberculosis Conserved protein 0.0187 0.1475 0.1447
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0913 0.0884
Echinococcus granulosus geminin 0.0705 0.5851 1
Mycobacterium tuberculosis Conserved protein 0.0187 0.1475 0.1447
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0221 0.0763
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0309 0.2503 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0132 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.026 0.0289
Brugia malayi MH2 domain containing protein 0.0024 0.0095 0.013
Onchocerca volvulus 0.0187 0.1475 0.176
Brugia malayi Heterochromatin protein 1 0.0069 0.0478 0.0683
Loa Loa (eye worm) hypothetical protein 0.0308 0.2495 0.3591
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.01 0.0276
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0309 0.2503 1
Leishmania major hypothetical protein, conserved 0.0028 0.0132 0.0404
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1475 0.183
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0095 0.0162
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0295 0.0419
Plasmodium falciparum thioredoxin reductase 0.0048 0.0295 1
Echinococcus multilocularis geminin 0.0705 0.5851 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0132 0.3794
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0269
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.069 0.2662
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1475 0.183
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0118
Plasmodium falciparum phd finger protein, putative 0.0029 0.0139 0.4054
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0175 0.0578
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0047 0.01
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.1885 0.3222
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0221 0.0763
Brugia malayi SET domain containing protein 0.0016 0.0026 0.0031
Mycobacterium leprae Probable lipase LipE 0.0187 0.1475 0.247
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0235 0.0402
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0187 0.1475 0.2559
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0478 0.0566
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0032 0.0055
Schistosoma mansoni importin beta-1 0.0033 0.0175 0.0299
Plasmodium falciparum glutathione reductase 0.0048 0.0295 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0187 0.1475 0.2119
Loa Loa (eye worm) hypothetical protein 0.0187 0.1475 0.2119
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0032 0.004
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.02 0.6372
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1475 0.5837
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0006
Trypanosoma brucei trypanothione reductase 0.0048 0.0295 0.1064
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0173 0.0244
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0175 0.0299
Mycobacterium ulcerans esterase/lipase LipP 0.0187 0.1475 0.2559
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0309 0.2503 1
Plasmodium vivax hypothetical protein, conserved 0.0187 0.1475 1
Trypanosoma brucei polo-like protein kinase 0.0094 0.069 0.2662
Mycobacterium tuberculosis Conserved protein 0.0187 0.1475 0.1447
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.02 0.0297
Schistosoma mansoni smad 0.0024 0.0095 0.0162
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0246 0.0271
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0136
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.0716 0.1224
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0095 0.0162
Echinococcus granulosus snurportin 1 0.0357 0.2906 0.4967
Giardia lamblia PHD finger protein 15 0.0029 0.0139 0.1621
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0191 0.0268
Onchocerca volvulus 0.0043 0.026 0.0206
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0095 0.013
Loa Loa (eye worm) hypothetical protein 0.012 0.0904 0.1296
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 0.02 0.0341
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0236 0.1885 0.2711
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.069 0.1179

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 37.7 % Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed as reduction in iNOS level at 10 uM relative to control ChEMBL. 19391605
ED50 (functional) = 14.54 ug ml-1 Cytotoxicity against human MCF7 cells by MTT assay ChEMBL. 19391605
ED50 (functional) = 15.34 ug ml-1 Cytotoxicity against human DaOY cells by MTT assay ChEMBL. 19391605
ED50 (functional) > 20 ug ml-1 Cytotoxicity against human HeLa cells by MTT assay ChEMBL. 19391605
ED50 (functional) > 20 ug ml-1 Cytotoxicity against human Hep2 cells by MTT assay ChEMBL. 19391605

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.