TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 266.338 | Formula: C17H18N2O
H donors: 1 H acceptors: 1 LogP: 4.15 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(C1NC(=O)c2c(N1c1ccccc1)cccc2)C
InChi: 1S/C17H18N2O/c1-12(2)16-18-17(20)14-10-6-7-11-15(14)19(16)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,18,20)
InChiKey: BYFAYLRMDRFQNP-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
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0245	0.2124	1
Entamoeba histolytica	protein kinase, putative	0.0021	0.0059	0.1306
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Schistosoma mansoni	growth factor receptor-bound protein	0.0024	0.0082	0.1477
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0106	0.0846	0.3984
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0015	0.0264
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Echinococcus granulosus	tyrosine kinase	0.0063	0.0448	0.5288
Echinococcus multilocularis	c src tyrosine kinase	0.0028	0.0126	0.1486
Brugia malayi	Tyrosine-protein kinase abl-1	0.0028	0.0126	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0082	0.0386
Schistosoma mansoni	growth factor receptor-bound protein	0.0024	0.0082	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0017	0.0082
Echinococcus multilocularis	tyrosine kinase	0.0017	0.0017	0.0206
Schistosoma mansoni	tyrosine kinase	0.0075	0.0556	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0063	0.0448	0.5288
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0017	0.0017	0.0206
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0106	0.0846	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0059	0.0404	0.4772
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0024	0.0082	0.0386
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0075	0.0556	0.6567
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Trypanosoma brucei	wee1-like protein kinase	0.1097	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0075	0.0556	0.6567
Schistosoma mansoni	tyrosine kinase	0.0028	0.0126	0.2262
Loa Loa (eye worm)	TK protein kinase	0.0063	0.0448	0.2107
Echinococcus multilocularis	roundabout 2	0.0023	0.008	0.0943
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0075	0.0556	0.6567
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0075	0.0556	0.6567
Loa Loa (eye worm)	SRC-1	0.0075	0.0556	0.2617
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0028	0.0126	0.1486
Schistosoma mansoni	cell adhesion molecule	0.002	0.0045	0.0805
Schistosoma mansoni	nck2/grb4	0.0024	0.0082	0.1477
Echinococcus granulosus	tyrosine protein kinase Blk	0.0063	0.0448	0.5288
Schistosoma mansoni	tyrosine kinase	0.0017	0.0017	0.0314
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0021	0.0059	0.1306
Brugia malayi	SRC-1	0.0075	0.0556	0.2617
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0017	0.0017	0.0206
Brugia malayi	Variant SH3 domain containing protein	0.0024	0.0082	0.0386
Brugia malayi	protein-tyrosine kinase	0.0063	0.0448	0.2107
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0024	0.0082	0.1477
Echinococcus granulosus	c src tyrosine kinase	0.0028	0.0126	0.1486
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0017	0.0082
Brugia malayi	hypothetical protein	0.0017	0.0017	0.0082
Echinococcus multilocularis	NCK adaptor protein	0.0024	0.0082	0.097
Loa Loa (eye worm)	TK/ABL protein kinase	0.0017	0.0017	0.0082
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Echinococcus granulosus	growth factor receptor bound protein 2	0.0024	0.0082	0.097
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0017	0.0017	0.0206
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Echinococcus granulosus	mitogen activated protein kinase 14	0.0106	0.0846	1
Brugia malayi	SH2 domain containing protein	0.0017	0.0017	0.0082
Echinococcus granulosus	tyrosine protein kinase shark	0.0017	0.0017	0.0206
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0017	0.0082
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0106	0.0846	1
Echinococcus granulosus	neuroglian	0.0019	0.0035	0.0414
Echinococcus granulosus	roundabout 2	0.0023	0.008	0.0943
Echinococcus multilocularis	tyrosine protein kinase shark	0.0017	0.0017	0.0206
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0028	0.0126	0.1486
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.1097	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0028	0.0126	0.1486
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.1097	1	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0229	0.1977	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0028	0.0126	0.2262
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0024	0.0082	0.097
Echinococcus granulosus	mitogen activated protein kinase 11	0.0106	0.0846	1
Onchocerca volvulus		0.022	0.1899	0.9598
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0017	0.0082
Echinococcus granulosus	tyrosine protein kinase HCK	0.0051	0.0337	0.3976
Schistosoma mansoni	tyrosine kinase	0.0017	0.0017	0.0314
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0017	0.0082
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Brugia malayi	P38 map kinase family protein 2	0.0106	0.0846	0.3984
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.002	0.0045	0.0529
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0063	0.0448	0.5288
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0018	0.0028	0.0131
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.1097	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0075	0.0556	0.6567
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0075	0.0556	0.6567
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0024	0.0082	0.0386
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0017	0.0017	0.0206
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.0211
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Brugia malayi	Sex muscle abnormal protein 5	0.0024	0.0082	0.0386
Echinococcus granulosus	twitchin	0.0028	0.012	0.1422
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0063	0.0448	0.5288
Schistosoma mansoni	adapter molecule crk	0.0024	0.0082	0.1477
Echinococcus multilocularis	neuroglian	0.0019	0.0035	0.0414
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0075	0.0556	0.6567
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0075	0.0556	0.6567
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.1097	1	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0063	0.0448	0.5288
Schistosoma mansoni	tyrosine kinase	0.0075	0.0556	1
Brugia malayi	Variant SH3 domain containing protein	0.0024	0.0082	0.0386
Schistosoma mansoni	nephrin	0.0019	0.0035	0.0631
Loa Loa (eye worm)	TK protein kinase	0.0051	0.0337	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0023	0.008	0.0376
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0106	0.0846	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0075	0.0556	0.6567
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0084	0.0641	0.7575
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0017	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0023	0.008	0.0376
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0245	0.2124	1
Echinococcus granulosus	tyrosine kinase	0.0017	0.0017	0.0206
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0075	0.0556	0.6567
Echinococcus granulosus	tyrosine protein kinase Srms	0.0017	0.0017	0.0206
Entamoeba histolytica	protein kinase, putative	0.0051	0.0337	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0106	0.0846	1
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0051	0.0337	0.3976
Brugia malayi	SH2 domain containing protein	0.0017	0.0017	0.0082
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082
Onchocerca volvulus		0.0021	0.0056	0.0199
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0075	0.0556	0.6567
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0059	0.0404	0.4772
Schistosoma mansoni	tyrosine kinase	0.0028	0.0126	0.2262
Echinococcus granulosus	NCK adaptor protein	0.0024	0.0082	0.097
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0017	0.0082

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 10 %	Percent inhibition against carrageenan-induced rat paw edema at 50 mg/kg dose administered perorally; 0-10%	ChEMBL.	3872940

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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Detailed information for compound 265995