Detailed information for compound 1124992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.448 | Formula: C20H30O7
  • H donors: 4 H acceptors: 4 LogP: 0.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCc1cc2[C@H](CO)[C@H](Oc2c(c1)OC)[C@]1(O)CC[C@@H]([C@H](C1)O)OC
  • InChi: 1S/C20H30O7/c1-25-16-5-6-20(24,10-15(16)23)19-14(11-22)13-8-12(4-3-7-21)9-17(26-2)18(13)27-19/h8-9,14-16,19,21-24H,3-7,10-11H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1
  • InChiKey: XYLIIEXXYHZFME-UKSSEWCLSA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5391 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.5391 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.066 0.1223
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1326 0.246
Brugia malayi beta-lactamase family protein 0.0039 0.066 0.1223
Brugia malayi hypothetical protein 0.0034 0.0443 0.0821
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1326 0.246
Onchocerca volvulus 0.0039 0.066 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0183 0.7152 0.5
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0183 0.7152 0.6951
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0183 0.7152 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.1275 0.0948
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1275 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1326 0.246
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0183 0.7152 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.066 0.1223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.5391 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.5391 1
Brugia malayi beta-lactamase family protein 0.0039 0.066 0.1223
Onchocerca volvulus 0.0039 0.066 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1275 1
Brugia malayi beta-lactamase 0.0039 0.066 0.1223
Loa Loa (eye worm) hypothetical protein 0.0037 0.0567 0.1051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.5391 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0567 0.1051
Loa Loa (eye worm) beta-lactamase 0.0039 0.066 0.1223
Plasmodium falciparum enoyl-acyl carrier reductase 0.0183 0.7152 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.1275 0.0948
Loa Loa (eye worm) hypothetical protein 0.0039 0.066 0.1223
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.5391 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1326 0.246
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0183 0.7152 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.1275 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.066 0.1223
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.1275 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5391 1
Brugia malayi hypothetical protein 0.0052 0.1275 0.2365
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.066 0.1223
Loa Loa (eye worm) hypothetical protein 0.0052 0.1275 0.2365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5391 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.066 0.1223
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0183 0.7152 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.066 0.1223
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0183 0.7152 1
Schistosoma mansoni hypothetical protein 0.0037 0.0567 0.1051
Onchocerca volvulus 0.0039 0.066 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.5391 1
Trichomonas vaginalis hypothetical protein 0.0183 0.7152 1

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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