Detailed information for compound 833763

Basic information

Technical information
  • TDR Targets ID: 833763
  • Name: 5-butylamino-2-[(E)-2-thiophen-2-ylethenyl]-1 ,3-oxazole-4-carbonitrile
  • MW: 273.353 | Formula: C14H15N3OS
  • H donors: 1 H acceptors: 2 LogP: 4.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNc1oc(nc1C#N)C=Cc1cccs1
  • InChi: 1S/C14H15N3OS/c1-2-3-8-16-14-12(10-15)17-13(18-14)7-6-11-5-4-9-19-11/h4-7,9,16H,2-3,8H2,1H3/b7-6+
  • InChiKey: XEQSXDZMLKIDBD-VOTSOKGWSA-N  

Network

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Synonyms

  • 5-butylamino-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
  • 5-butylamino-2-[2-(2-thienyl)vinyl]oxazole-4-carbonitrile
  • 5-butylamino-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile
  • 5-butylamino-2-[2-(2-thienyl)vinyl]-4-oxazolecarbonitrile
  • 5-butylamino-2-[(E)-2-(2-thienyl)vinyl]-4-oxazolecarbonitrile

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 Cytochrome P450 family protein 0.0075 0.2822 0.2822
Leishmania major cytochrome p450-like protein 0.0075 0.2822 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0882 0.0882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0882 0.0882
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0184 1 1
Plasmodium falciparum transporter, putative 0.0031 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0075 0.2822 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0882 0.0882
Loa Loa (eye worm) serotonin transporter b 0.0184 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0882 0.0882
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0882 0.0882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0882 0.0882
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0031 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0075 0.2822 0.2822
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0075 0.2822 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0882 0.0882
Echinococcus multilocularis serotonin transporter 0.0184 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0882 0.0882
Schistosoma mansoni sodium/chloride dependent transporter 0.0184 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0075 0.2822 0.5
Plasmodium vivax hypothetical protein, conserved 0.0031 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0075 0.2822 0.2822
Loa Loa (eye worm) cytochrome P450 family protein 0.0075 0.2822 0.2822
Toxoplasma gondii hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Plasmodium falciparum amino acid transporter, putative 0.0031 0 0.5
Toxoplasma gondii hypothetical protein 0.0031 0 0.5
Plasmodium vivax amine transporter, putative 0.0031 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0075 0.2822 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0184 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.1422 0.1422
Onchocerca volvulus 0.0184 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0882 0.0882
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0 0.5
Echinococcus granulosus serotonin transporter 0.0184 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0075 0.2822 0.2822

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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