Detailed information for compound 1806837

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.587 | Formula: C26H38N2O10
  • H donors: 7 H acceptors: 6 LogP: -0.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 3
  • SMILES: CON[C@]12O[C@@]3(O)[C@@H]([C@]([C@]2(C)[C@]2(O[C@]41[C@H](O)[C@@H](C)CC[C@@]4([C@@]3(C2)C)O)O)(O)C(C)C)OC(=O)c1[nH]ccc1
  • InChi: 1S/C26H38N2O10/c1-13(2)23(33)18(36-17(30)15-8-7-11-27-15)25(34)19(4)12-22(32)20(23,5)26(38-25,28-35-6)24(37-22)16(29)14(3)9-10-21(19,24)31/h7-8,11,13-14,16,18,27-29,31-34H,9-10,12H2,1-6H3/t14-,16+,18+,19-,20-,21-,22-,23+,24+,25-,26+/m0/s1
  • InChiKey: ZIHZAHNWRGTCDU-AOLJZCDASA-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
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0386 0.0443
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0386 0.101
Loa Loa (eye worm) hypothetical protein 0.031 0.712 0.818
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2417 0.2777
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2067 0.2375
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1821 0.4767
Echinococcus multilocularis GPCR, family 2 0.0032 0.0386 0.101
Brugia malayi MH2 domain containing protein 0.0116 0.2417 0.2777
Loa Loa (eye worm) hypothetical protein 0.0032 0.0386 0.0443
Schistosoma mansoni hypothetical protein 0.0032 0.0386 0.101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0386 0.101
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1289 0.3374
Onchocerca volvulus TPPP family protein homolog 0.0375 0.8704 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Echinococcus granulosus GPCR family 2 0.0032 0.0386 0.101
Loa Loa (eye worm) hypothetical protein 0.0069 0.1289 0.1481
Loa Loa (eye worm) hypothetical protein 0.0101 0.2067 0.2375
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0386 0.101
Brugia malayi hypothetical protein 0.031 0.712 0.818
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Brugia malayi p25-alpha family protein 0.0375 0.8704 1
Schistosoma mansoni hypothetical protein 0.0032 0.0386 0.101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1821 0.4767
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1821 0.4767
Schistosoma mansoni hypothetical protein 0.0174 0.3819 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0386 0.0443
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1821 0.4767
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0386 0.101
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1821 0.2092
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0386 0.101
Echinococcus multilocularis geminin 0.0174 0.3819 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1289 0.1481
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0386 0.101
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1821 0.4767
Schistosoma mansoni hypothetical protein 0.0174 0.3819 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1821 0.2092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0386 0.0443
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2067 0.2375
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Loa Loa (eye worm) p25-alpha family protein 0.0375 0.8704 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2417 0.2777
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2067 0.2375
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1821 0.4767
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1821 0.4767
Echinococcus granulosus geminin 0.0174 0.3819 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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