Detailed information for compound 1270152

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.35 | Formula: C19H18FNO3
  • H donors: 1 H acceptors: 1 LogP: 3.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2C(=NCCc2cc1OC)/C=C(/c1ccc(cc1)F)\O
  • InChi: 1S/C19H18FNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-11,22H,7-8H2,1-2H3/b17-11-
  • InChiKey: LKJVRHZYNQZOGH-BOPFTXTBSA-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
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein 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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0164 0.0192
Loa Loa (eye worm) initiation factor 2-associated protein 0.0043 0.0019 0.0022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0164 0.0192
Trypanosoma cruzi Aph-1 protein, putative 0.0101 0.0517 1
Brugia malayi RNA binding protein 0.0076 0.0304 0.0356
Plasmodium falciparum M18 aspartyl aminopeptidase 0.007 0.0245 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.007 0.0245 0.4537
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.007 0.0245 0.4537
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0164 0.0192
Entamoeba histolytica aminopeptidase, putative 0.007 0.0245 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.007 0.0245 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0304 0.0285
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.1643 0.1923
Schistosoma mansoni alpha-l-fucosidase 0.1035 0.8545 1
Trypanosoma cruzi Aph-1 protein, putative 0.0101 0.0517 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.007 0.0245 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.007 0.0245 0.4537
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0304 0.0356
Loa Loa (eye worm) RNA binding protein 0.0076 0.0304 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0304 0.0356
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0454 0.355 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0164 0.0192
Brugia malayi Aspartyl aminopeptidase 0.007 0.0245 0.0287
Brugia malayi Cytochrome P450 family protein 0.0045 0.0031 0.0036
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1205 1 1
Brugia malayi Alpha-L-fucosidase family protein 0.1035 0.8545 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0245 0.064
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0245 0.064
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0454 0.355 1
Brugia malayi TAR-binding protein 0.0076 0.0304 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0304 0.0356
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0043 0.0019 0.5
Brugia malayi follicle stimulating hormone receptor 0.0232 0.1643 0.1923
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.007 0.0245 0.5
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.007 0.0245 1
Brugia malayi initiation factor 2-associated protein. 0.0043 0.0019 0.0022
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0043 0.0019 0.0022
Echinococcus granulosus tar DNA binding protein 0.0076 0.0304 0.0285
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0304 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0304 0.0356
Trypanosoma brucei Aph-1 protein, putative 0.0101 0.0517 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.007 0.0245 0.0287
Echinococcus granulosus aspartyl aminopeptidase 0.007 0.0245 0.0227
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0304 0.0356
Schistosoma mansoni gamma-secretase subunit aph-1 0.026 0.1882 0.2202
Echinococcus multilocularis gamma secretase subunit aph 1 0.026 0.1882 0.1866
Loa Loa (eye worm) alpha-L-fucosidase 0.1035 0.8545 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0245 0.064
Trypanosoma brucei aspartyl aminopeptidase, putative 0.007 0.0245 0.4537
Entamoeba histolytica aspartyl aminopeptidase, putative 0.007 0.0245 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0031 0.0036
Loa Loa (eye worm) aspartyl aminopeptidase 0.007 0.0245 0.0287
Mycobacterium ulcerans alpha-L-fucosidase 0.1205 1 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.007 0.0245 0.0287
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0304 0.0356
Loa Loa (eye worm) hypothetical protein 0.007 0.0245 0.0287
Echinococcus granulosus gamma secretase subunit aph 1 0.026 0.1882 0.1866
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.026 0.1882 0.2202
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0304 0.0356
Giardia lamblia Methionine aminopeptidase 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0245 0.0287
Echinococcus multilocularis aspartyl aminopeptidase 0.007 0.0245 0.0227
Brugia malayi gamma-secretase subunit aph-1 0.026 0.1882 0.2202

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.6891 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) 39.8107 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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) 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 Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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