Detailed information for compound 1011669

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 542.538 | Formula: C26H30N4O9
  • H donors: 6 H acceptors: 9 LogP: -0.09 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC[C@H]([C@@H]([C@@H]1O[C@](Oc2ccc(cc2)c2nnn(c2)Cc2ccccc2)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
  • InChi: 1S/C26H30N4O9/c1-15(32)27-22-20(33)11-26(25(36)37,39-24(22)23(35)21(34)14-31)38-18-9-7-17(8-10-18)19-13-30(29-28-19)12-16-5-3-2-4-6-16/h2-10,13,20-24,31,33-35H,11-12,14H2,1H3,(H,27,32)(H,36,37)/t20-,21+,22+,23-,24+,26+/m0/s1
  • InChiKey: IJVJLQLOZRXVKF-XSGWZPFESA-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
Plasmodium falciparum dihydroorotate dehydrogenase 0.0343 0.3523 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0343 0.3523 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.0343 0.3523 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0343 0.3523 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0134 0.1115 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0134 0.1115 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0343 0.3523 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0779 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0658 0.8445
Schistosoma mansoni hypothetical protein 0.0042 0.0054 0.0153
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0397 0.1127
Schistosoma mansoni eyes absent homolog 0.0094 0.0658 0.1867
Loa Loa (eye worm) hypothetical protein 0.0042 0.0054 0.0691
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0343 0.3523 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0343 0.3523 0.5
Leishmania major dihydroorotate dehydrogenase 0.0343 0.3523 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0779 0.2211
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0054 0.0153
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0134 0.1115 0.1115
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0134 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0397 0.5097
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0054 0.0153
Brugia malayi hypothetical protein 0.0038 0.0007 0.002
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0343 0.3523 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0134 0.1115 0.3164
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0343 0.3523 1
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0054 0.0054
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0054 0.0153
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0134 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0658 0.8445
Brugia malayi Zinc finger, C2H2 type family protein 0.0134 0.1115 0.3164
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0134 0.1115 0.1115
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.2307 0.6548
Onchocerca volvulus 0.0037 0 0.5
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0042 0.0054 0.0153
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0054 0.0153
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0134 0.1115 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0343 0.3523 1
Onchocerca volvulus 0.0037 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0343 0.3523 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0134 0.1115 1
Onchocerca volvulus 0.0037 0 0.5
Brugia malayi hypothetical protein 0.0094 0.0658 0.1867
Schistosoma mansoni hypothetical protein 0.0072 0.0397 0.1127
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0343 0.3523 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0343 0.3523 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0134 0.1115 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0779 0.2211
Brugia malayi hypothetical protein 0.0038 0.0007 0.002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0134 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0779 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0134 0.1115 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0343 0.3523 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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