Detailed information for compound 1275416

Basic information

Technical information
  • TDR Targets ID: 1275416
  • Name: N-(5-furan-2-yl-1,3,4-oxadiazol-2-yl)cyclopro panecarboxamide
  • MW: 219.197 | Formula: C10H9N3O3
  • H donors: 1 H acceptors: 3 LogP: 0.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)Nc1nnc(o1)c1ccco1
  • InChi: 1S/C10H9N3O3/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)
  • InChiKey: CVIMMBXIXWLXEG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
  • MLS000683058
  • SMR000323141
  • ZINC04107295

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917

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
Schistosoma mansoni jumonji domain containing protein 0.0092 0.5654 0.5654
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0743 0.0743
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0135 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.803 0.803
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0743 0.0743
Plasmodium falciparum phd finger protein, putative 0.0035 0 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1382 0.1382
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0743 0.0743
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.803 0.803
Brugia malayi jmjC domain containing protein 0.0043 0.0743 0.0743
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0743 0.0743
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Onchocerca volvulus Alhambra homolog 0.0035 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0743 0.0743
Loa Loa (eye worm) carboxylesterase 0.0135 1 1
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2522 0.2522
Echinococcus multilocularis carboxylesterase 5A 0.0135 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1382 0.1382
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.3758 0.3758
Brugia malayi Carboxylesterase family protein 0.0135 1 1
Brugia malayi jmjC domain containing protein 0.0115 0.803 0.803
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2936 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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