Detailed information for compound 924993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.291 | Formula: C17H12F3N3O3
  • H donors: 2 H acceptors: 3 LogP: 3.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1[nH]c2c(c1)cc(cn2)NC(=O)c1ccccc1C(F)(F)F
  • InChi: 1S/C17H12F3N3O3/c1-26-16(25)13-7-9-6-10(8-21-14(9)23-13)22-15(24)11-4-2-3-5-12(11)17(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
  • InChiKey: SIUOVOCGMYQPIB-UHFFFAOYSA-N  


Substructure search Similarity search

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 ABL proto-oncogene 1, non-receptor tyrosine kinase Starlite/ChEMBL No references
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
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
Brugia malayi Peptidase family M28 containing protein 0.0135 0.0451 0.8246
Loa Loa (eye worm) hypothetical protein 0.0098 0.0267 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0451 0.5
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0135 0.0451 0.4232
Toxoplasma gondii peptidase, M28 family protein 0.0135 0.0451 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0451 0.044
Schistosoma mansoni tyrosine kinase 0.0054 0.0051 0.0034
Echinococcus multilocularis tyrosine protein kinase Srms 0.0046 0.0011 0.0012
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0054 0.0051 0.0475
Brugia malayi PA domain containing protein 0.0049 0.003 0.0342
Brugia malayi Tyrosine-protein kinase abl-1 0.0114 0.0346 0.6288
Trypanosoma brucei glutaminyl cyclase, putative 0.0135 0.0451 1
Loa Loa (eye worm) hypothetical protein 0.1376 0.6563 0.6559
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0051 0.0052
Echinococcus multilocularis e3 ubiquitin protein ligase RNF13 0.0049 0.003 0.003
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0184 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0451 0.044
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0184 0.0694 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0046 0.0011 0.0012
Brugia malayi Tyrosine-protein kinase abl-1 0.0154 0.0544 1
Onchocerca volvulus Fxna peptidase homolog 0.0135 0.0451 1
Brugia malayi nicalin 0.0135 0.0451 0.8246
Loa Loa (eye worm) hypothetical protein 0.1889 0.9092 0.9091
Schistosoma mansoni Fxna peptidase (M28 family) 0.0135 0.0451 0.0669
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.0051 0.0052
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0051 0.0475
Trypanosoma cruzi glutaminyl cyclase, putative 0.0135 0.0451 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0451 0.5
Brugia malayi FXNA 0.0135 0.0451 0.8246
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0135 0.0451 0.0669
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.0051 0.0475
Schistosoma mansoni tyrosine kinase 0.0251 0.1024 0.1582
Loa Loa (eye worm) hypothetical protein 0.0135 0.0451 0.044
Trypanosoma cruzi glutaminyl cyclase, putative 0.0135 0.0451 0.5
Leishmania major hypothetical protein, conserved 0.0135 0.0451 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0046 0.0011 0.0106
Brugia malayi leucyl aminopeptidase 0.0135 0.0451 0.8246
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0049 0.003 0.0277
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0051 0.0052
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0054 0.0051 0.0052
Echinococcus granulosus e3 ubiquitin protein ligase RNF13 0.0049 0.003 0.0277
Loa Loa (eye worm) leucyl aminopeptidase 0.0135 0.0451 0.044
Echinococcus granulosus tyrosine protein kinase Src64B 0.0054 0.0051 0.0475
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0049 0.003 0.003
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0051 0.0475
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0051 0.0052
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0135 0.0451 0.4232
Onchocerca volvulus 0.0135 0.0451 1
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0135 0.0451 0.0669
Echinococcus granulosus tyrosine protein kinase Lyn 0.0054 0.0051 0.0475
Brugia malayi SRC-1 0.0054 0.0051 0.0738
Echinococcus multilocularis tyrosine protein kinase ABL1 0.026 0.1065 0.1091
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0135 0.0451 0.0462
Echinococcus multilocularis tyrosine protein kinase Abl 0.0114 0.0346 0.0355
Echinococcus granulosus tyrosine protein kinase Blk 0.0046 0.0011 0.0106
Echinococcus granulosus expressed protein 0.0049 0.003 0.0277
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0135 0.0451 0.0462
Onchocerca volvulus Glutaminyl cyclase homolog 0.0135 0.0451 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0046 0.0011 0.0012
Onchocerca volvulus Fxna peptidase homolog 0.0135 0.0451 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0054 0.0051 0.0052
Leishmania major glutaminyl cyclase, putative 0.0135 0.0451 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0135 0.0451 0.4232
Echinococcus granulosus tyrosine kinase 0.0046 0.0011 0.0106
Onchocerca volvulus Fxna peptidase homolog 0.0135 0.0451 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.1327 0.632 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0135 0.0451 0.0462
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0054 0.0051 0.0052
Loa Loa (eye worm) TK/ABL protein kinase 0.026 0.1065 0.1055
Loa Loa (eye worm) PA domain-containing protein 0.0049 0.003 0.0018
Echinococcus multilocularis expressed protein 0.0049 0.003 0.003
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0054 0.0051 0.0052
Toxoplasma gondii hypothetical protein 0.0135 0.0451 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.026 0.1065 1
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0451 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.2024 0.9757 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0054 0.0051 0.0052
Schistosoma mansoni nicalin (M28 family) 0.0135 0.0451 0.0669
Schistosoma mansoni tyrosine kinase 0.0054 0.0051 0.0034
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0135 0.0451 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0054 0.0051 0.0475
Loa Loa (eye worm) SRC-1 0.0054 0.0051 0.0039
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0051 0.0475

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 439 nM Inhibition of Abl kinase (unknown origin) ChEMBL. No reference
IC50 (binding) = 1127 nM Inhibition of Src kinase (unknown origin) ChEMBL. No reference
Inhibition (binding) = 66 % Inhibition of Src kinase (unknown origin) at 10 uM ChEMBL. No reference
Inhibition (binding) = 78 % Inhibition of Abl kinase (unknown origin) at 10 uM ChEMBL. 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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