Detailed information for compound 927798

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.457 | Formula: C22H24FN5O2
  • H donors: 2 H acceptors: 3 LogP: 1.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)NC1CCN(CC1)CCn1c(=O)ccc2c1cc(F)cn2
  • InChi: 1S/C22H24FN5O2/c23-16-14-20-19(24-15-16)6-7-21(29)28(20)13-12-27-10-8-18(9-11-27)26-22(30)25-17-4-2-1-3-5-17/h1-7,14-15,18H,8-13H2,(H2,25,26,30)
  • InChiKey: OEKDONOWJACAQR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 Protein Wnt-04 0.0199 0.2152 0.2939
Echinococcus multilocularis 0.0105 0.0931 0.1272
Schistosoma mansoni wnt related 0.0199 0.2152 0.1821
Schistosoma mansoni wnt related 0.0199 0.2152 0.1821
Onchocerca volvulus Tyrosine kinase homolog 0.0324 0.3772 0.019
Echinococcus multilocularis frizzled 0.0206 0.2241 0.3059
Loa Loa (eye worm) hypothetical protein 0.0199 0.2152 0.2939
Schistosoma mansoni netrin 0.0598 0.7324 1
Loa Loa (eye worm) wnt-4 protein 0.0199 0.2152 0.2939
Loa Loa (eye worm) hypothetical protein 0.0206 0.2241 0.3059
Echinococcus granulosus insulin receptor 0.0111 0.1001 0.1366
Brugia malayi Immunoglobulin I-set domain containing protein 0.0347 0.4067 0.4849
Loa Loa (eye worm) hypothetical protein 0.0199 0.2152 0.2939
Echinococcus multilocularis frizzled 4 0.0206 0.2241 0.3059
Loa Loa (eye worm) hypothetical protein 0.0199 0.2152 0.2939
Echinococcus multilocularis WNT 0.0199 0.2152 0.2939
Schistosoma mansoni netrin 0.0598 0.7324 1
Echinococcus granulosus Protein Wnt-5 0.0199 0.2152 0.2939
Schistosoma mansoni frizzled-like receptor 0.0206 0.2241 0.1961
Echinococcus granulosus netrin 1 0.0598 0.7324 1
Schistosoma mansoni wnt inhibitor frzb2 0.0206 0.2241 0.1961
Echinococcus multilocularis epidermal growth factor receptor 0.0185 0.1962 0.2679
Echinococcus granulosus secreted frizzled protein 0.0206 0.2241 0.3059
Echinococcus multilocularis insulin receptor 0.0111 0.1001 0.1366
Echinococcus multilocularis frizzled 5 0.0206 0.2241 0.3059
Echinococcus multilocularis wingless type MMTV integration site family 0.0199 0.2152 0.2939
Echinococcus multilocularis smoothened 0.0206 0.2241 0.3059
Echinococcus granulosus frizzled 5 0.0206 0.2241 0.3059
Schistosoma mansoni tyrosine kinase 0.0181 0.1912 0.1442
Loa Loa (eye worm) TK/EGFR protein kinase 0.0342 0.4006 0.547
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0185 0.1962 0.2679
Loa Loa (eye worm) CWN-2 protein 0.0199 0.2152 0.2939
Echinococcus granulosus epidermal growth factor receptor 0.0185 0.1962 0.2679
Brugia malayi Unc-6 protein precursor 0.0598 0.7324 1
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0206 0.2241 0.3059
Brugia malayi wnt family protein 0.0199 0.2152 0.1821
Echinococcus granulosus frizzled 0.0206 0.2241 0.3059
Echinococcus granulosus Protein Wnt-111 0.0199 0.2152 0.2939
Echinococcus granulosus secreted frizzled protein 5 0.0206 0.2241 0.3059
Echinococcus granulosus frizzled 0.0206 0.2241 0.3059
Echinococcus multilocularis WNT 0.0199 0.2152 0.2939
Schistosoma mansoni wnt related 0.0199 0.2152 0.1821
Loa Loa (eye worm) hypothetical protein 0.0199 0.2152 0.2939
Brugia malayi Wnt-4 protein precursor 0.0199 0.2152 0.1821
Loa Loa (eye worm) hypothetical protein 0.0206 0.2241 0.3059
Loa Loa (eye worm) hypothetical protein 0.0199 0.2152 0.2939
Echinococcus multilocularis protein Wnt 1 0.0199 0.2152 0.2939
Echinococcus multilocularis protein Wnt 2 0.0199 0.2152 0.2939
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0111 0.1001 0.1366
Schistosoma mansoni frizzled-like receptor 0.0206 0.2241 0.1961
Echinococcus granulosus Protein Wnt-11b 0.0199 0.2152 0.2939
Echinococcus multilocularis frizzled 10 0.0206 0.2241 0.3059
Schistosoma mansoni tyrosine kinase 0.0185 0.1962 0.1521
Brugia malayi Fz domain containing protein 0.0206 0.2241 0.1961
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0347 0.4067 0.5553
Echinococcus multilocularis secreted frizzled protein 5 0.0206 0.2241 0.3059
Schistosoma mansoni wnt-5 0.0199 0.2152 0.1821
Schistosoma mansoni secreted frizzled-related protein 0.0206 0.2241 0.1961
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0206 0.2241 0.1961
Brugia malayi Furin-like cysteine rich region family protein 0.0342 0.4006 0.4753
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0206 0.2241 0.1961
Brugia malayi wnt family protein 0.0199 0.2152 0.1821
Brugia malayi wnt family protein 0.0199 0.2152 0.1821
Loa Loa (eye worm) hypothetical protein 0.0598 0.7324 1
Echinococcus multilocularis frizzled 0.0206 0.2241 0.3059
Brugia malayi Fz domain containing protein 0.0206 0.2241 0.1961
Loa Loa (eye worm) sfrp2 0.0206 0.2241 0.3059
Schistosoma mansoni tyrosine kinase 0.0181 0.1912 0.1442
Echinococcus granulosus epidermal growth factor receptor 0.0342 0.4006 0.547
Echinococcus multilocularis epidermal growth factor receptor 0.0342 0.4006 0.547
Echinococcus multilocularis secreted frizzled protein 0.0206 0.2241 0.3059
Schistosoma mansoni tyrosine kinase 0.0342 0.4006 0.4753
Echinococcus granulosus protein Wnt 1 0.0199 0.2152 0.2939
Brugia malayi wnt family protein 0.0199 0.2152 0.1821
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0111 0.1001 0.1366
Echinococcus multilocularis netrin 1 0.0598 0.7324 1
Schistosoma mansoni frizzled 0.0206 0.2241 0.1961
Loa Loa (eye worm) Wnt2 protein 0.0199 0.2152 0.2939
Schistosoma mansoni tyrosine kinase 0.0181 0.1912 0.1442
Echinococcus granulosus protein Wnt 2 0.0199 0.2152 0.2939
Brugia malayi Wnt-2 protein precursor 0.0199 0.2152 0.1821
Schistosoma mansoni tyrosine kinase 0.0185 0.1962 0.1521
Schistosoma mansoni wnt related 0.0199 0.2152 0.1821
Echinococcus granulosus smoothened 0.0206 0.2241 0.3059
Echinococcus granulosus frizzled 0.0206 0.2241 0.3059
Loa Loa (eye worm) TK/INSR protein kinase 0.0111 0.1001 0.1366
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0206 0.2241 0.3059
Echinococcus granulosus frizzled 4 0.0206 0.2241 0.3059
Echinococcus multilocularis wnt family member wnt11 2 0.0199 0.2152 0.2939
Echinococcus multilocularis secreted frizzled protein 0.0206 0.2241 0.3059

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 42.95 % Cytotoxicity against mouse RAW264.7 cells at 100 uM after 48 hrs by MTT assay ChEMBL. 25127151
MIC (functional) = 1.9 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 7 days by microplate alamar blue assay ChEMBL. 25127151

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.

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