Detailed information for compound 1538976

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.372 | Formula: C20H19F3N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc2n(c1Cc1ccccc1C(F)(F)F)cc(cc2)C(=O)OC
  • InChi: 1S/C20H19F3N2O2/c1-3-6-16-17(11-13-7-4-5-8-15(13)20(21,22)23)25-12-14(19(26)27-2)9-10-18(25)24-16/h4-5,7-10,12H,3,6,11H2,1-2H3
  • InChiKey: QPPROYHSQCGIOT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

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
Onchocerca volvulus 0.0216 0.2872 0.0779
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0216 0.2872 0.2872
Brugia malayi hypothetical protein 0.0615 1 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0216 0.2872 0.2872
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0615 1 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0399 0.6135 0.6135
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0615 1 1
Brugia malayi TATA binding protein associated factor 0.0216 0.2872 0.2872
Loa Loa (eye worm) hypothetical protein 0.0216 0.2872 0.2872
Onchocerca volvulus 0.0615 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0216 0.2872 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0615 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0615 1 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0216 0.2872 0.2872
Loa Loa (eye worm) hypothetical protein 0.0399 0.6135 0.6135
Onchocerca volvulus 0.0615 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0216 0.2872 0.2872
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0216 0.2872 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0615 1 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.2872 0.2872
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0615 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0399 0.6135 0.6135
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0615 1 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0615 1 1
Loa Loa (eye worm) hypothetical protein 0.0399 0.6135 0.6135
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0615 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0615 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0615 1 1
Brugia malayi hypothetical protein 0.0182 0.227 0.227
Brugia malayi Peptidase family M1 containing protein 0.0216 0.2872 0.2872
Toxoplasma gondii aminopeptidase N protein 0.0216 0.2872 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.227 0.227
Loa Loa (eye worm) peptidase family M1 containing protein 0.0216 0.2872 0.2872
Trypanosoma cruzi Aminopeptidase M1, putative 0.0615 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0615 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0615 1 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0216 0.2872 0.2872
Schistosoma mansoni aminopeptidase A (M01 family) 0.0216 0.2872 0.2872
Echinococcus multilocularis aminopeptidase N 0.0615 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0615 1 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0399 0.6135 0.4578
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0216 0.2872 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0216 0.2872 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0615 1 1
Brugia malayi hypothetical protein 0.0216 0.2872 0.2872
Brugia malayi Peptidase family M1 containing protein 0.0615 1 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0615 1 1
Loa Loa (eye worm) aminopeptidase N 0.0615 1 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.2872 0.2872
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0615 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0615 1 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0615 1 1
Entamoeba histolytica aminopeptidase, putative 0.0615 1 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0216 0.2872 0.2872
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0615 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0216 0.2872 0.2872
Loa Loa (eye worm) hypothetical protein 0.0399 0.6135 0.6135
Toxoplasma gondii aminopeptidase N, putative 0.0216 0.2872 0.5
Echinococcus granulosus aminopeptidase N 0.0615 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0216 0.2872 0.2872
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0615 1 1
Toxoplasma gondii aminopeptidase n, putative 0.0216 0.2872 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0615 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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