Detailed information for compound 1015468

Basic information

Technical information
  • TDR Targets ID: 1015468
  • Name: AIDS-088106
  • MW: 641.599 | Formula: C30H27NO13S
  • H donors: 3 H acceptors: 6 LogP: 3.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2c(cc1OS(=O)(=O)O)oc(=O)c1c2c(c2ccc(c(c2)O)OC)c2n1C(O)Cc1c2cc(OC)c(c1OC)OC
  • InChi: 1S/C30H27NO13S/c1-38-18-7-6-13(8-17(18)32)24-25-16-10-20(39-2)21(44-45(35,36)37)12-19(16)43-30(34)27(25)31-23(33)11-15-14(26(24)31)9-22(40-3)29(42-5)28(15)41-4/h6-10,12,23,32-33H,11H2,1-5H3,(H,35,36,37)
  • InChiKey: NGKXLYIOYXEKKH-UHFFFAOYSA-N  

Network

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Synonyms

  • AIDS088106
  • Lamellarin V 20-sulfate

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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.4483 0.8848
Loa Loa (eye worm) hypothetical protein 0.0089 0.202 0.202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0483 0.0953
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0378 0.0746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0088 0.1995 0.1995
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0483 0.0953
Loa Loa (eye worm) acetyltransferase 0.0155 0.4483 0.4483
Trypanosoma brucei squalene synthase, putative 0.0286 0.9422 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0378 0.5
Leishmania major squalene synthase, putative 0.0286 0.9422 1
Echinococcus granulosus geminin 0.017 0.5067 1
Trypanosoma cruzi squalene synthase, putative 0.0286 0.9422 1
Schistosoma mansoni hypothetical protein 0.0089 0.202 0.3987
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0089 0.202 0.5
Echinococcus multilocularis geminin 0.017 0.5067 1
Trypanosoma cruzi squalene synthase, putative 0.0286 0.9422 1
Schistosoma mansoni hypothetical protein 0.0077 0.1546 0.3052
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0301 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.4483 0.8848
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0483 0.0483
Brugia malayi hypothetical protein 0.0088 0.1995 0.1995
Mycobacterium ulcerans phytoene synthase, CrtB 0.0089 0.202 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.2878 0.2878
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0235 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.1546 0.1546
Schistosoma mansoni hypothetical protein 0.017 0.5067 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0483 0.0953
Schistosoma mansoni eyes absent homolog 0.0088 0.1995 0.3938
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0483 0.0953
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0235 0.5
Schistosoma mansoni hypothetical protein 0.017 0.5067 1
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.1546 0.1546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0483 0.0953
Loa Loa (eye worm) hypothetical protein 0.0088 0.1995 0.1995
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.432 0.8526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0483 0.0953
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0483 0.0953
Echinococcus granulosus Squalene phytoene synthase 0.0089 0.202 0.3987
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0235 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.2878 0.2878
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0089 0.202 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0378 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0378 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.2878 0.2878
Loa Loa (eye worm) hypothetical protein 0.0112 0.2878 0.2878
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0378 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.4483 0.4483
Echinococcus multilocularis Squalene phytoene synthase 0.0089 0.202 0.3987
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0378 0.5

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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