Detailed information for compound 1524560

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.285 | Formula: C18H11NO3
  • H donors: 0 H acceptors: 2 LogP: 3.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=O)C1=C2C(=NC1=O)c1c3c2cccc3ccc1
  • InChi: 1S/C18H11NO3/c1-2-9-22-18(21)15-14-11-7-3-5-10-6-4-8-12(13(10)11)16(14)19-17(15)20/h2-8H,1,9H2
  • InChiKey: CGJSZRHNKLUWIE-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
Homo sapiens fibroblast growth factor receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
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
Echinococcus granulosus twitchin 0.0018 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0178 0.5013 0.5013
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0091 0.0039
Entamoeba histolytica kinesin, putative 0.0027 0.0433 0.5
Schistosoma mansoni tyrosine kinase 0.012 0.3262 0.3262
Echinococcus multilocularis neuroglian 0.0018 0.0161 0.0161
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.012 0.3262 0.3262
Echinococcus multilocularis Immunoglobulin 0.0014 0.0053 0.0053
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0014 0.0053 0.0053
Echinococcus granulosus Immunoglobulin 0.0014 0.0053 0.0053
Plasmodium falciparum kinesin-5 0.0027 0.0433 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0161 0.0109
Echinococcus granulosus fibroblast growth factor receptor 4 0.012 0.3262 0.3262
Echinococcus granulosus neuroglian 0.0018 0.0161 0.0161
Schistosoma mansoni kinesin eg-5 0.0027 0.0433 0.0433
Echinococcus multilocularis kinesin family 1 0.0205 0.5817 0.5817
Echinococcus granulosus defective proboscis extension response 0.0014 0.0053 0.0053
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0053 0.0053
Giardia lamblia Kinesin-5 0.0027 0.0433 0.5
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.012 0.3262 0.3262
Loa Loa (eye worm) hypothetical protein 0.0018 0.0161 0.0109
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0015 0.0091 0.0039
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0343 1 1
Schistosoma mansoni vesicular amine transporter 0.0014 0.0053 0.0053
Toxoplasma gondii kinesin motor domain-containing protein 0.0027 0.0433 0.5
Echinococcus multilocularis roundabout 2 0.0018 0.0161 0.0161
Brugia malayi Kinesin motor domain containing protein 0.0027 0.0433 0.0382
Echinococcus multilocularis Immunoglobulin 0.0014 0.0053 0.0053
Schistosoma mansoni cell adhesion molecule 0.0014 0.0053 0.0053
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0343 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0014 0.0053 0.0053
Schistosoma mansoni nephrin 0.0018 0.0161 0.0161
Echinococcus granulosus kinesin family 1 0.0205 0.5817 0.5817
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0343 1 1
Loa Loa (eye worm) TK protein kinase 0.0124 0.337 0.3335
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0343 1 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.012 0.3262 0.3262
Loa Loa (eye worm) kinesin-like protein KLP2 0.0027 0.0433 0.0382
Brugia malayi Immunoglobulin I-set domain containing protein 0.0124 0.337 0.3335
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0014 0.0053 0.0053
Echinococcus granulosus roundabout 2 0.0018 0.0161 0.0161
Plasmodium vivax kinesin-5 0.0027 0.0433 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.019 uM Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA ChEMBL. 21517068
IC50 (functional) = 3.9 uM Antiproliferative activity against human T24 cells expressing FGFR after 72 hrs by SRB assay ChEMBL. 21517068
IC50 (functional) = 4.8 uM Antiproliferative activity against human BxPC3 cells expressing FGFR after 72 hrs by SRB assay ChEMBL. 21517068
IC50 (ADMET) = 20.6 uM Antiproliferative activity against human WI38 cells expressing FGFR after 72 hrs by SRB assay ChEMBL. 21517068
Inhibition (binding) Inhibition of FGFR1 in human BxPC3 cells assessed as reduction of Akt phosphorylation at 10 uM after 12 hrs by Western blot analysis ChEMBL. 21517068
Inhibition (binding) Inhibition of FGFR1 in human BxPC3 cells assessed as reduction of Erk1/2 phosphorylation after 12 hrs by Western blot analysis ChEMBL. 21517068

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21517068

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

1 literature reference was collected for this gene.

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