Detailed information for compound 1619462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.424 | Formula: C24H18N4O4
  • H donors: 2 H acceptors: 5 LogP: 4.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NN(C(=O)C1=Cc1c(C)cc2n(c1O)c1ccccc1n2)c1ccc(cc1)C(=O)O
  • InChi: 1S/C24H18N4O4/c1-13-11-21-25-19-5-3-4-6-20(19)27(21)22(29)17(13)12-18-14(2)26-28(23(18)30)16-9-7-15(8-10-16)24(31)32/h3-12,29H,1-2H3,(H,31,32)
  • InChiKey: CIYPTMSDKNRLGL-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 BR serine/threonine kinase 1 Starlite/ChEMBL No references
Homo sapiens interleukin-1 receptor-associated kinase 1 Starlite/ChEMBL No references
Homo sapiens megakaryocyte-associated tyrosine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Toxoplasma gondii histone kinase SNF1, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K08796 BR serine/threonine kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium vivax serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium knowlesi serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium falciparum serine/threonine protein kinase KIN Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma congolense SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi putative serine/threonine kinase SADA gamma Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei gambiense protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Neospora caninum hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Cryptosporidium parvum OSK4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Theileria parva 5'-AMP-activated protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei gambiense serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K07198 5'-AMP-activated protein kinase, catalytic alpha subunit, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum HD domain-containing protein 2 homolog, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum MAP/microtubule affinity-regulating kinase 4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655

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 multilocularis growth factor receptor bound protein 2 0.0009 0.097 0.0882
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.1323 0.1239
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.1323 0.1239
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.1323 0.1239
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.1323 0.1239
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0035 0.8097 0.8078
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Echinococcus granulosus netrin receptor unc 5 0.0035 0.8097 0.8078
Schistosoma mansoni hypothetical protein 0.0035 0.8097 0.8084
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.8097 0.8078
Schistosoma mansoni tyrosine kinase 0.001 0.1323 0.1267
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.1323 0.1239
Brugia malayi Death domain containing protein 0.0035 0.8097 0.8078
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Brugia malayi hypothetical protein 0.0041 0.9743 0.9741
Echinococcus multilocularis c src tyrosine kinase 0.001 0.1323 0.1239
Echinococcus granulosus c src tyrosine kinase 0.001 0.1323 0.1239
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.1323 0.1267
Schistosoma mansoni tyrosine kinase 0.0006 0.0096 0.0031
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.097 0.0911
Loa Loa (eye worm) SRC-1 0.001 0.1323 0.1239
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Echinococcus granulosus NCK adaptor protein 0.0009 0.097 0.0882
Schistosoma mansoni tyrosine kinase 0.001 0.1323 0.1267
Schistosoma mansoni ankyrin 23/unc44 0.0035 0.8097 0.8084
Schistosoma mansoni tyrosine kinase 0.001 0.1323 0.1267
Onchocerca volvulus Netrin receptor homolog 0.0035 0.8097 1
Brugia malayi SRC-1 0.001 0.1323 0.1239
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.1323 0.1239
Echinococcus multilocularis netrin receptor unc 5 0.0035 0.8097 0.8078
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0035 0.8097 0.8084
Echinococcus multilocularis NCK adaptor protein 0.0009 0.097 0.0882
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0035 0.8097 0.8078
Loa Loa (eye worm) hypothetical protein 0.0041 0.9743 0.9741
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.097 0.0911
Brugia malayi Protein kinase domain containing protein 0.0036 0.8354 0.8338
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.1323 0.1239
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.097 0.0911
Echinococcus granulosus Ankyrin 0.0035 0.8097 0.8078
Loa Loa (eye worm) hypothetical protein 0.0035 0.8097 0.8078
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.1323 0.1239
Schistosoma mansoni tyrosine kinase 0.0006 0.0096 0.0031
Brugia malayi Variant SH3 domain containing protein 0.0009 0.097 0.0882
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.1323 0.1239
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.1323 0.1239
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.1323 0.1239
Brugia malayi Variant SH3 domain containing protein 0.0009 0.097 0.0882
Schistosoma mansoni nck2/grb4 0.0009 0.097 0.0911
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.1323 0.1239
Echinococcus multilocularis Ankyrin 0.0035 0.8097 0.8078
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.1323 0.1239
Brugia malayi Uncoordinated protein 44 0.0035 0.8097 0.8078
Schistosoma mansoni adapter molecule crk 0.0009 0.097 0.0911
Schistosoma mansoni tyrosine kinase 0.001 0.1323 0.1267
Loa Loa (eye worm) hypothetical protein 0.0041 0.9743 0.9741
Echinococcus granulosus death domain containing protein 0.0035 0.8097 0.8078
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0006 0.0096 0.0096
Echinococcus granulosus tyrosine protein kinase Lyn 0.0011 0.158 0.1498
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1323 0.1239
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.8097 0.8078
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.097 0.0882
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.097 0.0882
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.097 0.0882
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.097 0.0882
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.1323 0.1239
Loa Loa (eye worm) hypothetical protein 0.0009 0.097 0.0882
Loa Loa (eye worm) hypothetical protein 0.0035 0.8097 0.8078
Schistosoma mansoni netrin receptor unc5 0.0035 0.8097 0.8084

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1 ChEMBL. No reference
Ki (functional) = 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811 ChEMBL. No reference
Ki (functional) = 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MATK 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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