Detailed information for compound 372768

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.357 | Formula: C16H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 1.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H]1COC(=O)[C@@H](N1)Cc1ccccc1)NC(C)(C)C
  • InChi: 1S/C16H22N2O3/c1-16(2,3)18-14(19)13-10-21-15(20)12(17-13)9-11-7-5-4-6-8-11/h4-8,12-13,17H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
  • InChiKey: OXSLVGJGYUDVPT-QWHCGFSZSA-N  

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
Echinococcus multilocularis General substrate transporter 0.0097 0.04 0.1214
Loa Loa (eye worm) hypothetical protein 0.0121 0.0749 0.2358
Echinococcus multilocularis integrin alpha 3 0.0118 0.0707 0.2145
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0765 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.1372 0.1372
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Loa Loa (eye worm) integrin alpha pat-2 0.0238 0.243 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0765 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0299 0.3297 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0765 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.1372 0.1372
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0765 1 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.0765 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0765 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0685 0.2068
Echinococcus multilocularis geminin 0.0165 0.1372 0.4161
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0299 0.3297 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0299 0.3297 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0765 1 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0117 0.0685 0.006
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0299 0.3297 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0765 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0299 0.3297 1
Schistosoma mansoni hypothetical protein 0.0113 0.0629 0.0629
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0299 0.3297 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0299 0.3297 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0299 0.3297 1
Schistosoma mansoni glucose transport protein 0.0113 0.0629 0.0629
Echinococcus granulosus General substrate transporter 0.0097 0.04 0.1214
Schistosoma mansoni integrin alpha 0.0155 0.1226 0.1226
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0299 0.3297 1
Schistosoma mansoni glucose transport protein 0.0113 0.0629 0.0629
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0765 1 1
Loa Loa (eye worm) sugar transporter 0.0113 0.0629 0.1814
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Echinococcus granulosus integrin alpha 3 0.0118 0.0707 0.2145
Schistosoma mansoni glucose transport protein 0.0113 0.0629 0.0629
Brugia malayi Zinc finger, C2H2 type family protein 0.0299 0.3297 0.2848
Echinococcus granulosus geminin 0.0165 0.1372 0.4161
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0299 0.3297 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0765 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.0765 1 1
Leishmania major dihydroorotate dehydrogenase 0.0765 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0299 0.3297 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0765 1 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0113 0.0629 0.1907
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.0629 0.1907
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0765 1 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.0155 0.1226 0.0637

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 42 % Ability to block calcium channel T type 3.2v expressed in Xenopus oocytes at 100 uM by two-microelectrode voltage-clamp method ChEMBL. 16876404
Inhibition (functional) = 42 % Ability to block calcium channel T type 3.2v expressed in Xenopus oocytes at 100 uM by two-microelectrode voltage-clamp method ChEMBL. 16876404

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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