Detailed information for compound 1841264

Basic information

Technical information
  • TDR Targets ID: 1841264
  • Name: 5-(3-fluorophenyl)-3H-1,3,4-oxadiazole-2-thio ne
  • MW: 196.202 | Formula: C8H5FN2OS
  • H donors: 0 H acceptors: 2 LogP: 2 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1nnc(o1)S
  • InChi: 1S/C8H5FN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
  • InChiKey: GUVLMQZAXFGRER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Populus kitakamiensis Trans-cinnamate 4-monooxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Trans-cinnamate 4-monooxygenase   505 aa 528 aa 23.7 %
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Trans-cinnamate 4-monooxygenase   505 aa 441 aa 24.0 %
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Trans-cinnamate 4-monooxygenase   505 aa 441 aa 24.0 %
Candida albicans cytochrome P450 56 Trans-cinnamate 4-monooxygenase   505 aa 432 aa 26.2 %
Drosophila melanogaster CG15077 gene product from transcript CG15077-RA Trans-cinnamate 4-monooxygenase   505 aa 451 aa 22.6 %
Drosophila melanogaster CG7241 gene product from transcript CG7241-RA Trans-cinnamate 4-monooxygenase   505 aa 455 aa 24.6 %
Drosophila melanogaster CG14032 gene product from transcript CG14032-RA Trans-cinnamate 4-monooxygenase   505 aa 406 aa 24.4 %
Candida albicans cytochrome P450 556 Trans-cinnamate 4-monooxygenase   505 aa 413 aa 24.2 %
Drosophila melanogaster CG11821 gene product from transcript CG11821-RA Trans-cinnamate 4-monooxygenase   505 aa 448 aa 24.1 %
Drosophila melanogaster shadow Trans-cinnamate 4-monooxygenase   505 aa 459 aa 23.8 %
Trypanosoma cruzi cytochrome P450, putative Trans-cinnamate 4-monooxygenase   505 aa 445 aa 23.4 %
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Trans-cinnamate 4-monooxygenase   505 aa 457 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major acetyl-CoA carboxylase, putative 0.1657 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1199 0.6669 0.5
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1657 1 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1657 1 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0631 0.2536 0.5
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0631 0.2536 0.5
Trypanosoma cruzi acetyl-CoA carboxylase 0.1026 0.5408 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0283 0 0.5
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1599 0.9578 0.5
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0631 0.2536 0.5
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0631 0.2536 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0631 0.2536 0.1741
Trypanosoma brucei acetyl-CoA carboxylase 0.1657 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0283 0 0.5
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1199 0.6669 0.5
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1657 1 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0631 0.2536 0.1741
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0631 0.2536 0.5
Schistosoma mansoni acetyl-CoA carboxylase 0.1657 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0631 0.2536 0.5
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0631 0.2536 0.5
Mycobacterium ulcerans pyruvate carboxylase 0.0631 0.2536 0.5
Brugia malayi Carboxyl transferase domain containing protein 0.1599 0.9578 0.5
Chlamydia trachomatis biotin carboxylase 0.0573 0.2114 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.13 uM Inhibition of Populus sieboldii x Populus grandidentata trans-cinnamate 4-hydroxylase expressed in Saccharomyces cerevisiae BJ2168 assessed as inhibition of hydroxylation of cinnamic acid after 60 min 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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