Detailed information for compound 415153

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.345 | Formula: C18H15N5O
  • H donors: 2 H acceptors: 4 LogP: 3.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)Nc1nccc(n1)n1cnc2c1cccc2)C
  • InChi: 1S/C18H15N5O/c1-12-6-7-13(24)10-15(12)21-18-19-9-8-17(22-18)23-11-20-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,21,22)
  • InChiKey: OAMCZSMFDRTMOM-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 LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

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
Brugia malayi Protein kinase domain containing protein 0.0006 0 0.0003
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0023 0.0023
Entamoeba histolytica DNA repair and recombination protein, putative 0.1367 1 1
Brugia malayi Protein kinase domain containing protein 0.0006 0 0.0003
Echinococcus granulosus ferritin 0.0009 0.0024 0.0024
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0023 0.0391
Onchocerca volvulus 0.0006 0 0.5
Schistosoma mansoni ferritin 0.0009 0.0024 0.0024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Brugia malayi SH2 domain containing protein 0.0006 0 0.0003
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0024 0.5
Echinococcus granulosus expressed protein 0.0009 0.0024 0.0024
Brugia malayi Protein kinase domain containing protein 0.0006 0 0.0003
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0023 0.0099
Trichomonas vaginalis importin beta-1, putative 0.0025 0.014 0.014
Schistosoma mansoni nck2/grb4 0.0009 0.0023 0.0023
Echinococcus granulosus c src tyrosine kinase 0.001 0.0033 0.0033
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0033 0.0033
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0033 0.0033
Schistosoma mansoni importin beta-1 0.0031 0.0183 0.0183
Leishmania major GTP-binding protein, putative 0.0023 0.0123 0.0123
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0033 0.0033
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.0033 0.0033
Echinococcus granulosus snurportin 1 0.0327 0.236 0.236
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.014 0.0017
Echinococcus multilocularis expressed protein 0.0009 0.0024 0.0024
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0327 0.236 0.236
Schistosoma mansoni adapter molecule crk 0.0009 0.0023 0.0023
Loa Loa (eye worm) TK protein kinase 0.0006 0 0.0001
Schistosoma mansoni ferritin 0.0009 0.0024 0.0024
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.014
Schistosoma mansoni ferritin 0.0009 0.0024 0.0024
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0023 0.0023
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0183 0.0773
Brugia malayi hypothetical protein 0.0006 0 0.0003
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0033 0.0033
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Echinococcus granulosus importin subunit beta 1 0.0031 0.0183 0.0183
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Brugia malayi RNA, U transporter 1 0.0087 0.0598 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Onchocerca volvulus 0.0006 0 0.5
Schistosoma mansoni ran 0.0023 0.0123 0.0123
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0123 0.0123
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Brugia malayi Importin beta-1 subunit 0.0031 0.0183 0.3055
Trichomonas vaginalis ferritin, putative 0.0009 0.0024 0.0024
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0183 0.0183
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0123 0.6744
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Trichomonas vaginalis ran, putative 0.0023 0.0123 0.0123
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Onchocerca volvulus 0.0006 0 0.5
Onchocerca volvulus 0.0006 0 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0006 0 0.0001
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1367 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.236 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0033 0.0033
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0033 0.0033
Brugia malayi SH2 domain containing protein 0.0006 0 0.0003
Schistosoma mansoni ferritin light chain 0.0009 0.0024 0.0024
Entamoeba histolytica hypothetical protein, conserved 0.1367 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0023 0.0023
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0033 0.0033
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0033 0.0033
Brugia malayi Protein kinase domain containing protein 0.0006 0 0.0003
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.1367 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0023 0.0099
Onchocerca volvulus 0.0006 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0023 0.0391
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0183 0.0183
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.1367 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0183 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0024 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.1367 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0033 0.0548
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Onchocerca volvulus 0.0006 0 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0033 0.0033
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0024 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0033 0.0033
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0123 0.6744
Entamoeba histolytica Ran family GTPase 0.0023 0.0123 0.0123
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0033 0.0033
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1367 1 1
Brugia malayi Protein kinase domain containing protein 0.0006 0 0.0003
Schistosoma mansoni ferritin 0.0009 0.0024 0.0024
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0023 0.0023
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.014
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0123 0.6744
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0023 0.0099
Plasmodium falciparum importin beta, putative 0.0031 0.0183 1
Brugia malayi protein-tyrosine kinase 0.0006 0 0.0003
Echinococcus multilocularis ferritin 0.0009 0.0024 0.0024
Schistosoma mansoni apoferritin-2 0.0009 0.0024 0.0024
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.1367 1 1
Loa Loa (eye worm) SRC-1 0.001 0.0033 0.0139
Loa Loa (eye worm) TK/FER protein kinase 0.0006 0 0.0001
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0033 0.0033
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0123 0.0521
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0123 0.0123
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0033 0.0033
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0023 0.0391
Schistosoma mansoni apoferritin-2 0.0009 0.0024 0.0024
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0 0.0001
Echinococcus multilocularis snurportin 1 0.0327 0.236 0.236
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0024 0.5
Schistosoma mansoni ferritin light chain 0.0009 0.0024 0.0024
Brugia malayi SRC-1 0.001 0.0033 0.0548
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1367 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.1367 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Echinococcus granulosus NCK adaptor protein 0.0009 0.0023 0.0023
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1367 1 1
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0024 0.5
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0123 0.206
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0123 0.0123
Schistosoma mansoni ran 0.0023 0.0123 0.0123
Entamoeba histolytica hypothetical protein 0.0025 0.014 0.014
Trichomonas vaginalis conserved hypothetical protein 0.1367 1 1
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0023 0.0023
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0033 0.0033
Giardia lamblia Rrm3p helicase 0.1367 1 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0024 0.5
Leishmania major importin beta-1 subunit, putative 0.0025 0.014 0.014
Plasmodium vivax importin-beta 2, putative 0.0031 0.0183 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 193 nM Inhibition of human recombinant Lck by ProFlour assay ChEMBL. 16997556
IC50 (binding) = 193 nM Inhibition of human recombinant Lck by ProFlour assay ChEMBL. 16997556

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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