Detailed information for compound 916795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.486 | Formula: C24H24N6O2
  • H donors: 1 H acceptors: 5 LogP: 2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(O)cc(c1)c1n(C)ncc1c1cc(nc(n1)c1cccnc1)N1CCOCC1
  • InChi: 1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-26-29(23)2)21-13-22(30-6-8-32-9-7-30)28-24(27-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3
  • InChiKey: OYFRMIPGSHJOLT-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 ROS proto-oncogene 1, receptor tyrosine kinase 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 protein kinase Get druggable targets OG5_135644 All targets in OG5_135644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135644 All targets in OG5_135644
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_135644 All targets in OG5_135644
Echinococcus granulosus tyrosine protein kinase Get druggable targets OG5_135644 All targets in OG5_135644
Echinococcus multilocularis tyrosine protein kinase Get druggable targets OG5_135644 All targets in OG5_135644

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
Onchocerca volvulus Peroxidase homolog 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Brugia malayi Animal haem peroxidase family protein 0.0297 0.9985 1
Schistosoma mansoni peroxidasin 0.0297 0.9985 1
Loa Loa (eye worm) animal heme peroxidase 0.0297 0.9985 1
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.009 0.1117 0.5
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Onchocerca volvulus 0.0297 0.9985 1
Echinococcus granulosus tyrosine protein kinase 0.029 0.9682 0.9475
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.0156 0.3936 1
Schistosoma mansoni cytochrome c oxidase subunit II 0.0243 0.769 0.7701
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.0156 0.3936 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0297 0.9985 1
Plasmodium vivax cytochrome c oxidase subunit I 0.0156 0.3936 0.56
Onchocerca volvulus Chorion peroxidase homolog 0.0297 0.9985 1
Loa Loa (eye worm) animal heme peroxidase 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Schistosoma mansoni cytochrome oxidase subunit 0.0156 0.3936 0.3942
Echinococcus multilocularis peroxidasin 0.0297 0.9985 1
Brugia malayi Blistered cuticle protein 3 0.0297 0.9985 1
Schistosoma mansoni cytochrome oxidase subunit 0.0156 0.3936 0.3942
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0297 1 1
Loa Loa (eye worm) TK protein kinase 0.029 0.9682 0.9696
Schistosoma mansoni peroxidasin 0.0297 0.9985 1
Mycobacterium tuberculosis Probable cytochrome C oxidase polypeptide I CtaD (cytochrome AA3 subunit 1) 0.0156 0.3936 1
Onchocerca volvulus 0.0297 0.9985 1
Loa Loa (eye worm) animal heme peroxidase 0.0297 0.9985 1
Brugia malayi Animal haem peroxidase family protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0288 0.9609 0.9623
Onchocerca volvulus 0.0297 0.9985 1
Loa Loa (eye worm) animal heme peroxidase 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Brugia malayi Animal haem peroxidase family protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Onchocerca volvulus Dual oxidase homolog 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Brugia malayi Peroxidasin 0.0297 0.9985 1
Brugia malayi Animal haem peroxidase family protein 0.0297 0.9985 1
Onchocerca volvulus Peroxidase homolog 0.0297 0.9985 1
Onchocerca volvulus Peroxidasin homolog 0.0297 0.9985 1
Schistosoma mansoni cytochrome oxidase subunit 0.0156 0.3936 0.3942
Onchocerca volvulus Cytochrome c oxidase subunit 1 homolog 0.0156 0.3936 0.3179
Brugia malayi Protein kinase domain containing protein 0.029 0.9682 0.9696
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Plasmodium falciparum cytochrome c oxidase subunit 1 0.0156 0.3936 1
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE POLYPEPTIDE I CTAD (CYTOCHROME AA3 SUBUNIT 1) 0.0156 0.3936 0.5
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0207 0.6151 1
Onchocerca volvulus 0.0156 0.3936 0.3179
Schistosoma mansoni cytochrome-c oxidase 0.009 0.1117 0.1118
Echinococcus granulosus peroxidasin 0.0297 0.9985 0.9975
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Onchocerca volvulus Peroxidasin homolog 0.0297 0.9985 1
Brugia malayi Animal haem peroxidase family protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1
Schistosoma mansoni cytochrome oxidase subunit 0.0156 0.3936 0.3942
Brugia malayi hypothetical protein 0.0297 0.9985 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.9985 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 91.5 nM Inhibition of ROS1 (unknown origin) assessed as remaining activity ChEMBL. 24997577

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.