Detailed information for compound 264529

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.308 | Formula: C17H16F3NO5
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1[C@H](NC(=O)c2ccco2)c2cc(ccc2OC1(C)C)OC(F)(F)F
  • InChi: 1S/C17H16F3NO5/c1-16(2)14(22)13(21-15(23)12-4-3-7-24-12)10-8-9(25-17(18,19)20)5-6-11(10)26-16/h3-8,13-14,22H,1-2H3,(H,21,23)/t13-,14+/m1/s1
  • InChiKey: GQDPXNCFRBOVEK-KGLIPLIRSA-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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1005 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1005 0.1005
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0032 0 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0324 1 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.0324 1 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0324 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0127 0.3231 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0324 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0127 0.3231 1
Brugia malayi RNA binding protein 0.0062 0.1005 0.1005
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0324 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0127 0.3231 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1005 0.1005
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0324 1 1
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0127 0.3231 0.5
Onchocerca volvulus 0.0032 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1005 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0127 0.3231 0.5
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0127 0.3231 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0127 0.3231 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0127 0.3231 0.5
Onchocerca volvulus 0.0032 0 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0324 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0127 0.3231 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1005 0.1005
Onchocerca volvulus Neuropeptide F receptor homolog 0.0032 0 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0127 0.3231 0.3231
Onchocerca volvulus 0.0032 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0324 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0127 0.3231 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1005 0.1005
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1005 0.1005
Onchocerca volvulus 0.0032 0 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0324 1 1
Onchocerca volvulus 0.0032 0 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.0324 1 0.5
Onchocerca volvulus 0.0032 0 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0324 1 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.1005 1
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0127 0.3231 0.5
Leishmania major dihydroorotate dehydrogenase 0.0324 1 0.5
Onchocerca volvulus 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0324 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.1005 0.3111
Onchocerca volvulus 0.0032 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0324 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1005 0.3111
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1005 0.1005
Brugia malayi TAR-binding protein 0.0062 0.1005 0.1005
Onchocerca volvulus 0.0032 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -30 % Compound was tested for mean arterial pressure in the spontaneously hypertensive rat, activity expressed as maximum % change in pressure after 3 hours of oral administration of 1.5 mg/Kg ChEMBL. No reference
clogP = 3.2 Calculated partition coefficient (clogP) ChEMBL. No reference
Mean arterial blood pressure (functional) = 175 mmHg Compound was tested for mean arterial pressure in the spontaneously hypertensive rat, activity expressed as mean arterial pressure before peroral administration of 0.17 mg/Kg dose ChEMBL. No reference

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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