Detailed information for compound 171896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.336 | Formula: C17H18N2O3
  • H donors: 4 H acceptors: 3 LogP: 1.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CCc1c[nH]c(c1C)/C=C\1/C(=O)Nc2c1cccc2)O
  • InChi: 1S/C17H18N2O3/c1-10-11(6-7-16(20)21)9-18-15(10)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,16,18,20-21H,6-7H2,1H3,(H,19,22)/b13-8+
  • InChiKey: VBOFKAICDZNRHP-MDWZMJQESA-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
Mus musculus kinase insert domain protein receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320

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
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0105 0.4714 1
Onchocerca volvulus 0.0105 0.4714 0.4736
Echinococcus granulosus Mastin 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Onchocerca volvulus 0.0105 0.4714 0.4736
Echinococcus granulosus transmembrane protease serine 3 0.0105 0.4714 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Brugia malayi hypothetical protein 0.0105 0.4714 0.4714
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0214 1 1
Schistosoma mansoni hypothetical protein 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0105 0.4714 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0105 0.4714 0.4714
Brugia malayi Trypsin family protein 0.0105 0.4714 0.4714
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0105 0.4714 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0105 0.4714 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Brugia malayi Trypsin family protein 0.0105 0.4714 0.4714
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Brugia malayi Trypsin-like protease protein 5 0.0105 0.4714 0.4714
Onchocerca volvulus 0.0105 0.4714 0.4736
Echinococcus granulosus enteropeptidase 0.0105 0.4714 1
Echinococcus granulosus glycoprotein Antigen 5 0.0105 0.4714 1
Onchocerca volvulus Tyrosine kinase homolog 0.0213 0.9952 1
Onchocerca volvulus 0.0208 0.9716 0.9763
Echinococcus multilocularis glycoprotein Antigen 5 0.0105 0.4714 1
Echinococcus multilocularis transmembrane protease serine 3 0.0105 0.4714 1
Echinococcus multilocularis enteropeptidase 0.0105 0.4714 1
Onchocerca volvulus 0.0105 0.4714 0.4736
Loa Loa (eye worm) trypsin family protein 0.0105 0.4714 0.4714
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Brugia malayi Trypsin family protein 0.0105 0.4714 0.4714
Loa Loa (eye worm) hypothetical protein 0.0105 0.4714 0.4714
Brugia malayi Trypsin family protein 0.0105 0.4714 0.4714
Echinococcus multilocularis Mastin 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni hypothetical protein 0.0105 0.4714 1
Onchocerca volvulus 0.0105 0.4714 0.4736
Onchocerca volvulus 0.0105 0.4714 0.4736
Mycobacterium ulcerans hypothetical protein 0.0105 0.4714 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0105 0.4714 1
Schistosoma mansoni tyrosine kinase 0.0009 0.0062 0.0131

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.2 Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) ChEMBL. 10956210
Log IC50 (binding) = 5.2 Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) ChEMBL. 10956210

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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