Detailed information for compound 914144

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 727.708 | Formula: C36H41NO15
  • H donors: 10 H acceptors: 12 LogP: 0.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@H]1O[C@@H](Oc2c3c(c4c5c2c(O)cc(c5[C@@]2(C4)C(=CCCC2(C)C)C)OC)[C@H](O)[C@@]2([C@@](C3=O)(O)C(=O)C(=C(C2)O)C(=O)N)O)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C36H41NO15/c1-12-6-5-7-33(2,3)34(12)9-13-18-20(14(39)8-16(50-4)23(18)34)27(52-32-26(43)25(42)24(41)17(11-38)51-32)22-19(13)28(44)35(48)10-15(40)21(31(37)47)29(45)36(35,49)30(22)46/h6,8,17,24-26,28,32,38-44,48-49H,5,7,9-11H2,1-4H3,(H2,37,47)/t17-,24-,25+,26-,28+,32+,34-,35+,36-/m1/s1
  • InChiKey: SHRXOFNJJWRPPD-XYOZYZSESA-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 endonuclease exonuclease phosphatase 0.0211 0.3872 0.4392
Loa Loa (eye worm) hypothetical protein 0.0078 0.1134 0.1294
Loa Loa (eye worm) hypothetical protein 0.0058 0.0723 0.0825
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0156 0.2745 0.3099
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0579 0.0638
Brugia malayi Bromodomain containing protein 0.0053 0.0625 0.0359
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.284 0.3241
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0613 0.0699
Loa Loa (eye worm) hypothetical protein 0.006 0.0762 0.087
Schistosoma mansoni bromodomain containing protein 0.008 0.119 0.1358
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0134 0.2285 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0762 0.0855
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0613 0.0653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0281 0.5313 0.6044
Entamoeba histolytica hypothetical protein 0.0156 0.2745 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0057 0.071 0.0529
Loa Loa (eye worm) MBCTL1 0.006 0.0762 0.087
Loa Loa (eye worm) acetyltransferase 0.0448 0.8762 1
Brugia malayi beta-lactamase family protein 0.008 0.1171 0.1007
Mycobacterium ulcerans hypothetical protein 0.0173 0.3088 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1171 0.1337
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Entamoeba histolytica hypothetical protein 0.0156 0.2745 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0762 0.0824
Schistosoma mansoni hypothetical protein 0.0051 0.0579 0.0661
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0762 0.0824
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.1109 0.1222
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.1171 0.1941
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Mycobacterium ulcerans lipase LipD 0.008 0.1171 0.1941
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0613 0.0653
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0613 0.0699
Brugia malayi mbt repeat family protein 0.0052 0.0613 0.0345
Trichomonas vaginalis esterase, putative 0.008 0.1171 0.2931
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.2727 0.3871
Schistosoma mansoni methionine-tRNA synthetase 0.0057 0.071 0.081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0281 0.5313 0.6268
Loa Loa (eye worm) hypothetical protein 0.0042 0.0401 0.0458
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0156 0.2745 0.3213
Schistosoma mansoni transcription factor LCR-F1 0.0156 0.2745 0.3133
Echinococcus granulosus histone acetyltransferase KAT2B 0.0433 0.8451 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0281 0.5313 0.6044
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.1109 0.1268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.284 0.2984
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0057 0.071 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0579 0.0615
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0057 0.071 0.0392
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.069 0.0358
Echinococcus granulosus methionine tRNA synthetase 0.0057 0.071 0.0793
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.1171 0.1941
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1171 0.2931
Brugia malayi beta-lactamase 0.008 0.1171 0.1007
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1171 0.2931
Echinococcus multilocularis zinc finger protein 0.0032 0.0201 0.0181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0281 0.5313 0.5914
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.2727 0.3871
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0579 0.0615
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1171 0.2931
Loa Loa (eye worm) hypothetical protein 0.0056 0.068 0.0776
Brugia malayi acetyltransferase, GNAT family protein 0.0448 0.8762 1
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1171 0.2931
Loa Loa (eye worm) hypothetical protein 0.011 0.1794 0.2047
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.1171 0.0497
Mycobacterium tuberculosis Probable hydrolase 0.008 0.1171 0.0497
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0346 0.0348
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.1171 0.1342
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0281 0.5313 0.6268
Loa Loa (eye worm) hypothetical protein 0.0161 0.284 0.3241
Schistosoma mansoni hypothetical protein 0.0189 0.3432 0.3917
Echinococcus granulosus GPCR family 2 0.0051 0.0579 0.0638
Schistosoma mansoni hypothetical protein 0.0189 0.3432 0.3917
Brugia malayi mbt repeat family protein 0.0052 0.0613 0.0345
Leishmania major hypothetical protein, conserved 0.008 0.1171 0.0829
Mycobacterium leprae conserved hypothetical protein 0.008 0.1171 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.6282 1
Brugia malayi MH2 domain containing protein 0.012 0.2004 0.1993
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2004 0.2287
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0579 0.0661
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0281 0.5313 0.6064
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0043 0.0049
Plasmodium vivax hypothetical protein, conserved 0.008 0.1171 0.2931
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0762 0.0522
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.1171 0.0497
Schistosoma mansoni hypothetical protein 0.0156 0.2745 0.3133
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0579 0.0305
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0346 0.036
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0613 0.0677
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0613 0.3867
Onchocerca volvulus 0.008 0.1171 1
Loa Loa (eye worm) beta-lactamase 0.008 0.1171 0.1337
Brugia malayi methionyl-tRNA synthetase 0.0057 0.071 0.046
Mycobacterium tuberculosis Conserved protein 0.008 0.1171 0.0497
Brugia malayi beta-lactamase family protein 0.008 0.1171 0.1007
Mycobacterium leprae Probable lipase LipE 0.008 0.1171 1
Schistosoma mansoni zinc finger protein 0.0032 0.0201 0.0229
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0762 0.087
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1171 0.1337
Brugia malayi hypothetical protein 0.0156 0.2745 0.2871
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0613 0.0699
Entamoeba histolytica hypothetical protein 0.0156 0.2745 1
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0057 0.071 0.081
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1171 0.1188
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2004 0.2287
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.1794 0.1744
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0579 0.0638
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.1171 0.0497
Onchocerca volvulus 0.008 0.1171 1
Mycobacterium tuberculosis Conserved protein 0.008 0.1171 0.0497
Mycobacterium ulcerans beta-lactamase 0.008 0.1171 0.1941
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.2727 0.3621
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.1171 0.1337
Mycobacterium tuberculosis Conserved protein 0.008 0.1171 0.0497
Onchocerca volvulus 0.008 0.1171 1
Mycobacterium ulcerans hypothetical protein 0.008 0.1171 0.1941
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0134 0.2285 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0448 0.8762 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0134 0.2285 1
Schistosoma mansoni hypothetical protein 0.0323 0.6181 0.7055
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.1171 0.1294
Plasmodium falciparum histone acetyltransferase GCN5 0.012 0.2006 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.6282 1
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.1171 0.0497
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.284 0.2984
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0057 0.071 0.0392
Echinococcus multilocularis GPCR, family 2 0.0051 0.0579 0.0615
Schistosoma mansoni hypothetical protein 0.0051 0.0579 0.0661
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0613 0.0699
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.3088 0.256
Echinococcus granulosus geminin 0.0189 0.3432 0.4031
Echinococcus granulosus zinc finger protein 0.0032 0.0201 0.0187
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0134 0.2285 1
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0762 0.0855
Giardia lamblia Histone acetyltransferase GCN5 0.012 0.2006 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0579 0.0305
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0613 0.0677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0281 0.5313 0.6064
Loa Loa (eye worm) hypothetical protein 0.0051 0.0579 0.0661
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Echinococcus multilocularis methionine tRNA synthetase 0.0057 0.071 0.0764
Echinococcus multilocularis geminin 0.0189 0.3432 0.3887
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.1171 0.1007
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.6282 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Loa Loa (eye worm) hypothetical protein 0.008 0.1171 0.1337
Entamoeba histolytica hypothetical protein 0.0156 0.2745 1
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1171 0.2931
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.6282 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0211 0.3872 0.4554
Schistosoma mansoni hypothetical protein 0.011 0.1794 0.2047
Schistosoma mansoni hypothetical protein 0.0051 0.0579 0.0661
Trichomonas vaginalis bromodomain-containing protein, putative 0.0134 0.2285 1
Toxoplasma gondii ABC1 family protein 0.008 0.1171 0.3305
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0035 0.026 0.0297
Brugia malayi Bromodomain containing protein 0.0093 0.1455 0.1343
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0448 0.8762 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0281 0.5313 0.6064
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.1171 0.0497
Onchocerca volvulus 0.0052 0.0613 0.3867
Schistosoma mansoni hypothetical protein 0.0051 0.0579 0.0661
Trypanosoma brucei hypothetical protein, conserved 0.008 0.1171 0.1188
Echinococcus granulosus histone acetyltransferase KAT2B 0.0134 0.2285 0.2666
Loa Loa (eye worm) hypothetical protein 0.0052 0.0613 0.0699
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.1171 0.0497
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1171 0.1188
Loa Loa (eye worm) bromodomain containing protein 0.003 0.0158 0.018
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0281 0.5313 0.6064

Activities

No activities found for this compound.

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.

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