Detailed information for compound 954692

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.387 | Formula: C22H17N3O5
  • H donors: 2 H acceptors: 6 LogP: 2.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cnc2c(c1O)c(=O)n(c(=O)n2Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C22H17N3O5/c26-18-16(21(28)29)11-23-19-17(18)20(27)25(13-15-9-5-2-6-10-15)22(30)24(19)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,23,26)(H,28,29)
  • InChiKey: KQNHCAKFEORJIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0037 0.0113 0.0169
Schistosoma mansoni serine/threonine-protein kinase 0.056 0.666 1
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0037 0.0113 0.0169
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus multilocularis protein kinase shaggy 0.0332 0.3811 0.5723
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0037 0.0113 0.0113
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0276 0.3107 0.3107
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0037 0.0113 0.0169
Echinococcus granulosus serine:threonine protein kinase N2 0.0276 0.3107 0.4665
Trypanosoma cruzi NIMA-related kinase, putative 0.0037 0.0113 0.0169
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0117 0.1118 0.1679
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0276 0.3107 0.3107
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0267 0.2994 0.2994
Trichomonas vaginalis CMGC family protein kinase 0.0332 0.3811 0.3811
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Echinococcus multilocularis rac serine:threonine kinase 0.056 0.666 1
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0523 0.6201 0.9311
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0332 0.3811 0.5723
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0799 0.9654 0.9654
Leishmania major protein kinase, putative 0.0037 0.0113 0.0296
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus nervana 2 0.0523 0.6201 0.9311
Echinococcus multilocularis tyrosine protein kinase Src42A 0.013 0.1277 0.1917
Echinococcus multilocularis tyrosine protein kinase Src64B 0.013 0.1277 0.1917
Entamoeba histolytica protein kinase, putative 0.0037 0.0113 0.0113
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0532 0.6314 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0117 0.1118 0.1679
Schistosoma mansoni tyrosine kinase 0.013 0.1277 0.1917
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0117 0.1118 0.1679
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.004 0.0158 0.0237
Echinococcus multilocularis tyrosine protein kinase Blk 0.0117 0.1118 0.1679
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0332 0.3811 0.3948
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0276 0.3107 0.4665
Echinococcus multilocularis serine:threonine protein kinase N2 0.0276 0.3107 0.4665
Echinococcus multilocularis protein kinase c epsilon type 0.0276 0.3107 0.4665
Trypanosoma cruzi NIMA-related kinase, putative 0.0037 0.0113 0.0169
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Schistosoma mansoni atypical protein kinase C 0.0276 0.3107 0.4665
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.013 0.1277 0.1917
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0523 0.6201 0.9311
Leishmania major folate/biopterin transporter, putative 0.0037 0.0113 0.0296
Toxoplasma gondii protein kinase domain-containing protein 0.0037 0.0113 0.0117
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus tyrosine protein kinase Lyn 0.0139 0.1389 0.2086
Leishmania major serine/threonine-protein kinase a, putative 0.0037 0.0113 0.0296
Loa Loa (eye worm) AGC/NDR protein kinase 0.0276 0.3107 0.3107
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Giardia lamblia Kinase, AGC PKA 0.0532 0.6314 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0827 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.056 0.666 1
Leishmania major protein kinase, putative 0.0037 0.0113 0.0296
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0532 0.6314 1
Entamoeba histolytica protein kinase, putative 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Brugia malayi Protein kinase domain containing protein 0.0276 0.3107 0.3107
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0276 0.3107 0.4665
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Brugia malayi Variant SH3 domain containing protein 0.0041 0.0162 0.0162
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0332 0.3811 0.3811
Brugia malayi Tyrosine-protein kinase abl-1 0.0029 0.002 0.002
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Plasmodium vivax glycogen synthase kinase 3, putative 0.0332 0.3811 0.6036
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0037 0.0113 0.0179
Brugia malayi p70 ribosomal S6 kinase beta 0.0799 0.9654 0.9654
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0037 0.0113 0.0113
Echinococcus multilocularis tyrosine protein kinase HCK 0.0104 0.0956 0.1436
Echinococcus granulosus tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Trypanosoma brucei protein kinase, putative 0.0332 0.3811 0.3811
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.013 0.1277 0.1917
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Schistosoma mansoni tyrosine kinase 0.013 0.1277 0.1917
Echinococcus granulosus tyrosine protein kinase Blk 0.0117 0.1118 0.1679
Trypanosoma cruzi Protein kinase B 0.056 0.666 1
Echinococcus granulosus Glutaredoxin protein 5 0.0523 0.6201 0.9311
Echinococcus multilocularis tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus multilocularis tyrosine protein kinase Fgr 0.013 0.1277 0.1917
Entamoeba histolytica protein kinase, putative 0.0827 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0113 0.0113
Entamoeba histolytica PH domain containing protein kinase, putative 0.056 0.666 0.666
Echinococcus granulosus tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Loa Loa (eye worm) SRC-1 0.013 0.1277 0.1277
Echinococcus granulosus serine threonine protein kinase nrc 0.0532 0.6314 0.9481
Brugia malayi protein-tyrosine kinase 0.0117 0.1118 0.1118
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus multilocularis nervana 2 0.0523 0.6201 0.9311
Schistosoma mansoni tyrosine kinase 0.0029 0.002 0.003
Entamoeba histolytica PH domain containing protein kinase, putative 0.0037 0.0113 0.0113
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.013 0.1277 0.1917
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0037 0.0113 0.0169
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.004 0.0158 0.0237
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.013 0.1277 0.1917
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0029 0.002 0.003
Loa Loa (eye worm) AGC/PKN protein kinase 0.0276 0.3107 0.3107
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0276 0.3107 0.4665
Echinococcus granulosus protein kinase c iota type 0.0276 0.3107 0.4665
Echinococcus granulosus tyrosine protein kinase HCK 0.0104 0.0956 0.1436
Echinococcus granulosus tyrosine kinase 0.0117 0.1118 0.1679
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0113 0.1073 0.1611
Echinococcus granulosus Protein kinase C brain isozyme 0.0276 0.3107 0.4665
Entamoeba histolytica hypothetical protein 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0532 0.6314 0.9481
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0276 0.3107 0.3107
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0276 0.3107 0.4665
Echinococcus granulosus nervana 2 0.0523 0.6201 0.9311
Entamoeba histolytica protein kinase, putative 0.0037 0.0113 0.0113
Echinococcus granulosus tyrosine protein kinase Src42A 0.013 0.1277 0.1917
Toxoplasma gondii AGC kinase 0.0799 0.9654 1
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus tyrosine protein kinase Src42A 0.0113 0.1073 0.1611
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0037 0.0113 0.0113
Schistosoma mansoni serine/threonine-protein kinase 0.056 0.666 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Brugia malayi protein kinase C II. 0.0276 0.3107 0.3107
Echinococcus multilocularis tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0276 0.3107 0.3107
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Echinococcus multilocularis nervana 2 0.0523 0.6201 0.9311
Trichomonas vaginalis AGC family protein kinase 0.0304 0.3453 0.3453
Echinococcus granulosus NDR protein kinase 0.0276 0.3107 0.4665
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0029 0.002 0.003
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0532 0.6314 0.9481
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0532 0.6314 0.9481
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0037 0.0113 0.0169
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0029 0.002 0.003
Echinococcus granulosus tyrosine protein kinase Fyn 0.013 0.1277 0.1917
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0332 0.3811 0.3811
Echinococcus multilocularis tyrosine protein kinase Abl 0.0029 0.002 0.003
Trypanosoma brucei protein kinase, putative 0.0037 0.0113 0.0113
Brugia malayi intracellular kinase 0.0332 0.3811 0.3811
Entamoeba histolytica protein kinase, putative 0.0799 0.9654 0.9654
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0276 0.3107 0.3107
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Loa Loa (eye worm) TK protein kinase 0.0104 0.0956 0.0956
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0332 0.3811 0.5723
Entamoeba histolytica protein kinase, putative 0.0276 0.3107 0.3107
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.004 0.0158 0.0237
Entamoeba histolytica PH domain containing protein kinase, putative 0.0037 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0041 0.0162 0.0162
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0276 0.3107 0.4665
Schistosoma mansoni serine/threonine kinase 0.0276 0.3107 0.4665
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0037 0.0113 0.0169
Echinococcus granulosus serine/threonine protein kinase 0.056 0.666 1
Echinococcus granulosus c src tyrosine kinase 0.0029 0.002 0.003
Entamoeba histolytica PH domain containing protein kinase, putative 0.056 0.666 0.666
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Onchocerca volvulus 0.0332 0.3811 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0276 0.3107 0.4665
Entamoeba histolytica PH domain containing protein kinase, putative 0.0037 0.0113 0.0113
Plasmodium falciparum glycogen synthase kinase 3 0.0332 0.3811 0.6036
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0037 0.0113 0.0117
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0037 0.0113 0.0296
Loa Loa (eye worm) AGC/AKT protein kinase 0.0827 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0332 0.3811 0.3811
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus protein kinase c epsilon type 0.0276 0.3107 0.4665
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0523 0.6201 0.9311
Entamoeba histolytica protein kinase, putative 0.0332 0.3811 0.3811
Loa Loa (eye worm) TK protein kinase 0.0117 0.1118 0.1118
Schistosoma mansoni vav2 0.0041 0.0162 0.0244
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Entamoeba histolytica protein kinase, putative 0.0037 0.0113 0.0113
Entamoeba histolytica protein kinase domain containing protein 0.0332 0.3811 0.3811
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0332 0.3811 0.5723
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Plasmodium falciparum calcium-dependent protein kinase 7 0.0037 0.0113 0.0179
Brugia malayi Hr1 repeat family protein 0.0276 0.3107 0.3107
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0276 0.3107 0.4665
Entamoeba histolytica hypothetical protein 0.004 0.0158 0.0158
Entamoeba histolytica protein kinase, putative 0.0104 0.0956 0.0956
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Loa Loa (eye worm) hypothetical protein 0.0276 0.3107 0.3107
Entamoeba histolytica p21-activated kinase 0.0037 0.0113 0.0113
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.013 0.1277 0.1917
Schistosoma mansoni tyrosine kinase 0.0029 0.002 0.003
Echinococcus granulosus protein kinase C gamma type 0.0276 0.3107 0.4665
Trichomonas vaginalis AGC family protein kinase 0.0276 0.3107 0.3107
Echinococcus multilocularis serine threonine protein kinase 0.0276 0.3107 0.4665
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0037 0.0113 0.0169
Echinococcus granulosus tyrosine protein kinase Src64B 0.013 0.1277 0.1917
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0037 0.0113 0.0296
Trichomonas vaginalis AGC family protein kinase 0.0037 0.0113 0.0113
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0332 0.3811 0.5723
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0037 0.0113 0.0113
Brugia malayi SRC-1 0.013 0.1277 0.1277
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0037 0.0113 0.0169
Entamoeba histolytica protein kinase 2, putative 0.0532 0.6314 0.6314
Loa Loa (eye worm) hypothetical protein 0.0041 0.0162 0.0162
Entamoeba histolytica PH domain containing protein kinase, putative 0.0037 0.0113 0.0113
Entamoeba histolytica protein kinase, putative 0.0037 0.0113 0.0113
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0332 0.3811 1
Trichomonas vaginalis AGC family protein kinase 0.0276 0.3107 0.3107
Schistosoma mansoni serine/threonine protein kinase 0.0276 0.3107 0.4665
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0276 0.3107 0.4665
Echinococcus multilocularis serine:threonine protein kinase N2 0.0276 0.3107 0.4665
Echinococcus granulosus protein kinase shaggy 0.0332 0.3811 0.5723
Brugia malayi Protein kinase domain containing protein 0.0276 0.3107 0.3107
Echinococcus multilocularis c src tyrosine kinase 0.0029 0.002 0.003
Entamoeba histolytica protein kinase, putative 0.0827 1 1
Trichomonas vaginalis AGC family protein kinase 0.0827 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0332 0.3811 0.3811
Echinococcus multilocularis protein kinase c iota type 0.0276 0.3107 0.4665

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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