Detailed information for compound 1524630

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.494 | Formula: C21H16N2O2S2
  • H donors: 0 H acceptors: 2 LogP: 3.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C2c3ccc(c4c3c(C2=NC1=O)ccc4)SC(C1(C)CSCO1)C
  • InChi: 1S/C21H16N2O2S2/c1-11(21(2)9-26-10-25-21)27-16-7-6-13-17-12(16)4-3-5-14(17)19-18(13)15(8-22)20(24)23-19/h3-7,11H,9-10H2,1-2H3
  • InChiKey: YREXMLYSGAVCFK-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 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
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
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
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 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
Echinococcus multilocularis 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
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 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
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0326
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.012 0.0482 0.1248
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0866 0.3866 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2218 1 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2218 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0866 0.3866 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2218 1 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2218 1 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.2218 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2218 1 1
Echinococcus granulosus twitchin 0.0018 0.0016 0.0042
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0866 0.3866 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0866 0.3866 0.5
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.012 0.0482 0.1248
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2218 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0866 0.3866 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0006 0.0006
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2218 1 1
Schistosoma mansoni nephrin 0.0018 0.0016 0.0016
Echinococcus multilocularis neuroglian 0.0018 0.0016 0.0042
Leishmania major dihydroorotate dehydrogenase 0.2218 1 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0866 0.3866 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0015 0.0006 0.0116
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2218 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0866 0.3866 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0866 0.3866 0.3866
Echinococcus granulosus fibroblast growth factor receptor 4 0.012 0.0482 0.1248
Echinococcus multilocularis roundabout 2 0.0018 0.0016 0.0042
Echinococcus granulosus roundabout 2 0.0018 0.0016 0.0042
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0866 0.3866 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2218 1 0.5
Loa Loa (eye worm) TK protein kinase 0.0124 0.0499 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2218 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0866 0.3866 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.012 0.0482 0.1248
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0866 0.3866 1
Schistosoma mansoni tyrosine kinase 0.012 0.0482 0.0482
Brugia malayi Immunoglobulin I-set domain containing protein 0.0124 0.0499 0.0499
Schistosoma mansoni dihydroorotate dehydrogenase 0.2218 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2218 1 0.5
Echinococcus granulosus neuroglian 0.0018 0.0016 0.0042
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0326
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0866 0.3866 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.6 uM Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA ChEMBL. 21517068

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

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.