Detailed information for compound 1960075

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 582.592 | Formula: C30H30F4N6O2
  • H donors: 3 H acceptors: 3 LogP: 3.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCC(CC1)N1Cc2c(C1=O)cc1c(c2C)nc([nH]1)c1c(cc[nH]c1=O)NC(Cc1c(F)c(F)cc(c1F)F)C
  • InChi: 1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)
  • InChiKey: ZUSOUYHYDDCGIC-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 No references
Homo sapiens ret proto-oncogene Starlite/ChEMBL No references
Homo sapiens neurotrophic tyrosine kinase, receptor, type 1 No references
Homo sapiens activin A receptor type II-like 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein kinase Get druggable targets OG5_135644 All targets in OG5_135644
Echinococcus multilocularis serine:threonine protein kinase receptor R3 Get druggable targets OG5_157629 All targets in OG5_157629
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_135644 All targets in OG5_135644
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
Echinococcus granulosus 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
Schistosoma mansoni protein kinase 0.0115 0.2337 0.9415
Entamoeba histolytica protein kinase, putative 0.0007 0 0.5
Echinococcus multilocularis activin receptor type 0.0121 0.2475 0.2382
Loa Loa (eye worm) hypothetical protein 0.0288 0.6066 0.9631
Entamoeba histolytica hypothetical protein 0.0007 0 0.5
Echinococcus multilocularis tyrosine protein kinase 0.0294 0.6204 0.6157
Brugia malayi Protein kinase domain containing protein 0.0294 0.6204 1
Echinococcus multilocularis TGF beta receptor type 1 0.0115 0.2337 0.2243
Echinococcus granulosus activin receptor type 0.0121 0.2475 0.3869
Echinococcus granulosus tyrosine protein kinase 0.0294 0.6204 1
Loa Loa (eye worm) TK protein kinase 0.0294 0.6204 1
Schistosoma mansoni protein kinase 0.0121 0.2475 1
Entamoeba histolytica hypothetical protein 0.0007 0 0.5
Entamoeba histolytica hypothetical protein 0.0007 0 0.5
Echinococcus granulosus TGF beta receptor type 1 0.0115 0.2337 0.3643
Echinococcus granulosus TGF-beta receptor type-1 0.0115 0.2337 0.3643
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0007 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.992 nM In Vitro Kinase Activity Assay BINDINGDB. No reference
IC50 (binding) = 11.15 nM In Vitro Kinase Activity Assay BINDINGDB. No reference
IC50 (binding) = 14.59 nM In Vitro Kinase Activity Assay BINDINGDB. No reference

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

No literature references available for this target.

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