TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 595.615 | Formula: C26H45FN9P3
H donors: 0 H acceptors: 0 LogP: 5.29 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: CN1CCN(P21=NP(=NP(=N2)(N1CCCC1)N1CCCC1)(N1CCCC1)N1CCCC1)Cc1ccc(cc1)F
InChi: 1S/C26H45FN9P3/c1-31-22-23-36(24-25-10-12-26(27)13-11-25)37(31)28-38(32-14-2-3-15-32,33-16-4-5-17-33)30-39(29-37,34-18-6-7-19-34)35-20-8-9-21-35/h10-13H,2-9,14-24H2,1H3
InChiKey: QPDHGWPCMJKTPI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0033	0.0187	0.0187
Entamoeba histolytica	protein kinase, putative	0.0165	0.3248	1
Schistosoma mansoni	hypothetical protein	0.0057	0.0759	0.0759
Onchocerca volvulus	Netrin receptor homolog	0.0057	0.0759	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0033	0.0187	0.0576
Echinococcus granulosus	tyrosine protein kinase Blk	0.0033	0.0187	0.0187
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0057	0.0759	0.0759
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0165	0.3248	0.3248
Echinococcus granulosus	Ankyrin	0.0057	0.0759	0.0759
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0033	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0759	1
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0024	0	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Schistosoma mansoni	tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0033	0.0187	0.0187
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0024	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Schistosoma mansoni	netrin receptor unc5	0.0057	0.0759	0.0759
Schistosoma mansoni	tyrosine kinase	0.0447	0.9768	0.9768
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0033	0.0187	0.0187
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0165	0.3248	0.3248
Schistosoma mansoni	tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0033	0.0187	0.0187
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0057	0.0759	0.0759
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0165	0.3246	0.3246
Schistosoma mansoni	tyrosine kinase	0.0033	0.0187	0.0187
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0057	0.0759	0.9272
Echinococcus granulosus	death domain containing protein	0.0057	0.0759	0.0759
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.3248	0.3248
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0033	0.0187	0.0187
Schistosoma mansoni	tyrosine kinase	0.0457	1	1
Entamoeba histolytica	protein kinase, putative	0.0165	0.3248	1
Echinococcus granulosus	tyrosine kinase	0.0033	0.0187	0.0187
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0024	0	0.5
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0057	0.0759	0.0759
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0033	0.0187	0.0187
Leishmania major	protein kinase, putative	0.0024	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Brugia malayi	Uncoordinated protein 44	0.0057	0.0759	0.9272
Echinococcus multilocularis	Ankyrin	0.0057	0.0759	0.0759
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0033	0.0187	0.0187
Plasmodium falciparum	protein kinase, putative	0.0024	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0033	0.0187	0.0187
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0024	0	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0035	0.0232	0.0232
Echinococcus multilocularis	tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase shark	0.0457	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0033	0.0187	0.0187
Brugia malayi	Death domain containing protein	0.0057	0.0759	0.9272
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0033	0.0187	0.0187
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0057	0.0759	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0759	1
Trypanosoma brucei	protein kinase, putative	0.0024	0	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Srms	0.0033	0.0187	0.0187
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Echinococcus multilocularis	netrin receptor unc 5	0.0057	0.0759	0.0759
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0033	0.0187	0.0187
Brugia malayi	Protein kinase domain containing protein	0.0059	0.0804	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Schistosoma mansoni	ankyrin 23/unc44	0.0057	0.0759	0.0759
Echinococcus granulosus	c src tyrosine kinase	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0033	0.0187	0.0187
Echinococcus granulosus	netrin receptor unc 5	0.0057	0.0759	0.0759
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0033	0.0187	0.0187
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0033	0.0187	0.0187
Schistosoma mansoni	tyrosine kinase	0.0033	0.0187	0.0187
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0033	0.0187	0.0187
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0165	0.3246	0.3246

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.

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

ChEMBL: CHEMBL3086642

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1845459