Detailed information for compound 997159

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.466 | Formula: C22H24N6O
  • H donors: 3 H acceptors: 2 LogP: 1.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)Cc1ccc2c(c1)nc([nH]2)c1c(=O)[nH]c2c(c1N)cccc2
  • InChi: 1S/C22H24N6O/c1-27-8-10-28(11-9-27)13-14-6-7-17-18(12-14)25-21(24-17)19-20(23)15-4-2-3-5-16(15)26-22(19)29/h2-7,12H,8-11,13H2,1H3,(H,24,25)(H3,23,26,29)
  • InChiKey: JVYWSDGZGNKUKM-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
Homo sapiens platelet-derived growth factor receptor, beta polypeptide Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
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
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
Loa Loa (eye worm) TK protein kinase 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
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
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 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_130320 All targets in OG5_130320
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma mansoni tyrosine kinase 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
Schistosoma mansoni nephrin 0.0046 0.0229 0.0229
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.2105 0.2105
Schistosoma mansoni tyrosine kinase 0.0122 0.2105 0.2105
Echinococcus multilocularis neuroglian 0.0046 0.0229 0.0229
Echinococcus multilocularis calcium release activated calcium channel 0.0444 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0179 0.3501 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0044 0.018 0.018
Brugia malayi Immunoglobulin I-set domain containing protein 0.0214 0.4347 0.4347
Schistosoma mansoni cell adhesion molecule 0.0044 0.018 0.018
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.2105 0.2105
Echinococcus granulosus neuroglian 0.0046 0.0229 0.0229
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0214 0.4347 0.4347
Echinococcus granulosus twitchin 0.0046 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0444 1 1
Echinococcus multilocularis roundabout 2 0.0053 0.0408 0.0408
Schistosoma mansoni Protein orai-1 0.0444 1 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.2105 0.2105
Schistosoma mansoni Protein orai-1 0.0444 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.018 0.018
Echinococcus granulosus calcium release activated calcium channel 0.0444 1 1
Echinococcus granulosus roundabout 2 0.0053 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0053 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0053 0.0408 0.0408
Brugia malayi Immunoglobulin I-set domain containing protein 0.0132 0.2334 0.2334
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.2105 0.2105
Loa Loa (eye worm) TK protein kinase 0.0132 0.2334 0.2334

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.002 uM Inhibition of human recombinant PDGFRbeta ChEMBL. 19113866
IC50 (binding) = 0.009 uM Inhibition of human recombinant FGFR1 ChEMBL. 19113866
IC50 (binding) = 0.027 uM Inhibition of human recombinant VEGFR2 ChEMBL. 19113866

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.