TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.376 | Formula: C18H20N4O3
H donors: 2 H acceptors: 3 LogP: 2.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCNc1onc2c1C(=O)/C(=N\c1ccccc1)/C=C2O)C
InChi: 1S/C18H20N4O3/c1-22(2)10-6-9-19-18-15-16(21-25-18)14(23)11-13(17(15)24)20-12-7-4-3-5-8-12/h3-5,7-8,11,19,23H,6,9-10H2,1-2H3/b20-13-
InChiKey: BCQWKEVLDPVQLI-MOSHPQCFSA-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
Schistosoma mansoni	growth factor receptor-bound protein	0.0022	0.0144	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0144	0.0337
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0015	0.0035
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0042	0.0495	0.0481
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0017	0.0059	0.006
Schistosoma mansoni	nck2/grb4	0.0022	0.0144	0.0146
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0022	0.0144	0.0337
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0025	0.0196	0.0181
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0014	0.0015	0.0233
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0022	0.0144	0.0337
Brugia malayi	Tyrosine-protein kinase abl-1	0.0025	0.0196	0.0459
Echinococcus multilocularis	dna polymerase eta	0.0071	0.0968	0.0955
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0495	0.1159
Brugia malayi	ImpB/MucB/SamB family protein	0.0071	0.0968	0.2268
Trypanosoma brucei	unspecified product	0.0029	0.0272	0.0637
Schistosoma mansoni	tyrosine kinase	0.0595	0.9819	1
Schistosoma mansoni	serine/threonine protein kinase	0.0266	0.4268	0.4347
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0266	0.4268	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0025	0.0196	0.0199
Echinococcus multilocularis	geminin	0.0187	0.2927	0.2916
Trypanosoma brucei	unspecified product	0.0029	0.0272	0.0637
Trypanosoma brucei	DNA polymerase eta, putative	0.0071	0.0968	0.2268
Schistosoma mansoni	tyrosine kinase	0.0025	0.0196	0.0199
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0017	0.0059	0.0044
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Onchocerca volvulus		0.0014	0.0015	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Schistosoma mansoni	tyrosine kinase	0.0025	0.0196	0.0199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Schistosoma mansoni	vav2	0.0017	0.0064	0.0065
Echinococcus multilocularis	dna polymerase kappa	0.0042	0.0495	0.0481
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0266	0.4268	1
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0015	0.0035
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0025	0.0196	0.0181
Trypanosoma cruzi	DNA polymerase eta, putative	0.0071	0.0968	0.2268
Onchocerca volvulus		0.0014	0.0015	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Onchocerca volvulus		0.0014	0.0015	0.5
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0042	0.0495	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.0272	0.0637
Entamoeba histolytica	hypothetical protein	0.0017	0.0059	0.1137
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Brugia malayi	MAP kinase sur-1	0.0266	0.4268	1
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.001	0.001
Schistosoma mansoni	adapter molecule crk	0.0022	0.0144	0.0146
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0042	0.0495	0.0504
Loa Loa (eye worm)	TK/ABL protein kinase	0.0014	0.0015	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0035
Leishmania major	DNA polymerase eta, putative	0.0041	0.0473	0.1109
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0015	0.0035
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0042	0.0495	0.0481
Schistosoma mansoni	DNA polymerase eta	0.0071	0.0968	0.0986
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0027	0.0236	0.0222
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0025	0.0196	0.0181
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0022	0.0144	0.0146
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0042	0.0495	0.1159
Echinococcus granulosus	c src tyrosine kinase	0.0025	0.0196	0.0181
Echinococcus granulosus	mitogen activated protein kinase 3	0.0266	0.4268	0.426
Trypanosoma cruzi	DNA polymerase eta, putative	0.0041	0.0473	0.1109
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0025	0.0196	0.0181
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.0272	0.0637
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Brugia malayi	Variant SH3 domain containing protein	0.0022	0.0144	0.0337
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0266	0.4268	1
Trypanosoma brucei	unspecified product	0.0042	0.0495	0.1159
Schistosoma mansoni	hypothetical protein	0.0187	0.2927	0.2981
Brugia malayi	ImpB/MucB/SamB family protein	0.0042	0.0495	0.1159
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0025	0.0196	0.0181
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0495	1
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.4268	1
Echinococcus granulosus	dna polymerase kappa	0.0042	0.0495	0.0481
Brugia malayi	SH2 domain containing protein	0.0014	0.0015	0.0035
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0025	0.0196	0.0181
Echinococcus granulosus	NCK adaptor protein	0.0022	0.0144	0.0129
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0266	0.4268	1
Leishmania major	DNA polymerase eta, putative	0.0071	0.0968	0.2268
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0025	0.0196	0.0181
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0042	0.0495	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0015	0.0035
Onchocerca volvulus		0.0014	0.0015	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0042	0.0495	0.0504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Echinococcus multilocularis	NCK adaptor protein	0.0022	0.0144	0.0129
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.4268	1
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.4268	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0968	0.2268
Brugia malayi	Variant SH3 domain containing protein	0.0017	0.0064	0.015
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0025	0.0196	0.0181
Schistosoma mansoni	tyrosine kinase	0.0025	0.0196	0.0199
Plasmodium falciparum	DNA repair protein REV1, putative	0.0013	0	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0266	0.4268	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0013	0	0.5
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0041	0.0473	0.1109
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0266	0.4268	1
Schistosoma mansoni	tyrosine kinase	0.0014	0.0015	0.0015
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0495	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.0272	0.0637
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0022	0.0144	0.0129
Schistosoma mansoni	tyrosine kinase	0.0025	0.0196	0.0199
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0025	0.0196	0.0181
Onchocerca volvulus		0.0014	0.0015	0.5
Schistosoma mansoni	hypothetical protein	0.0187	0.2927	0.2981
Trypanosoma brucei	protein kinase, putative	0.0266	0.4268	1
Brugia malayi	SRC-1	0.0025	0.0196	0.0459
Loa Loa (eye worm)	TK protein kinase	0.0014	0.0015	0.0035
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0025	0.0196	0.0181
Schistosoma mansoni	growth factor receptor-bound protein	0.0022	0.0144	0.0146
Brugia malayi	Sex muscle abnormal protein 5	0.0022	0.0144	0.0337
Giardia lamblia	Kinase, CMGC MAPK	0.0266	0.4268	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0042	0.0495	0.1159
Echinococcus multilocularis	c src tyrosine kinase	0.0025	0.0196	0.0181
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0495	0.1159
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0017	0.0059	0.0044
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0042	0.0495	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0017	0.0064	0.015
Echinococcus granulosus	geminin	0.0187	0.2927	0.2916
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0266	0.4268	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0266	0.4268	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0064	0.015
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.4268	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0266	0.4268	0.426
Echinococcus granulosus	dna polymerase eta	0.0071	0.0968	0.0955
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0495	0.1159
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0025	0.0196	0.0181
Brugia malayi	protein-tyrosine kinase	0.0014	0.0015	0.0035
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0266	0.4268	0.426
Echinococcus granulosus	growth factor receptor bound protein 2	0.0022	0.0144	0.0129
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0025	0.0196	0.0181
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Brugia malayi	hypothetical protein	0.0014	0.0015	0.0035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0495	0.1159
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0015	0.0035
Giardia lamblia	DINP protein human, muc B family	0.0042	0.0495	0.1159
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0015	0.0035
Onchocerca volvulus		0.0014	0.0015	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0266	0.4268	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0605	1	1
Brugia malayi	SH2 domain containing protein	0.0014	0.0015	0.0035
Brugia malayi	Variant SH3 domain containing protein	0.0022	0.0144	0.0337
Loa Loa (eye worm)	SRC-1	0.0025	0.0196	0.0459
Echinococcus granulosus	mitogen activated protein kinase	0.0266	0.4268	0.426
Leishmania major	DNA polymerase kappa, putative	0.0042	0.0495	0.1159

Activities

Activity type	Activity value	Assay description	Source	Reference
Concentration (functional)	= 0.19 mM	Concentration of the highest non-toxic dose tested	ChEMBL.	1956048
Ratio (functional)	= 1.7	Sensitizer enhancement ratio was determined from the ratio of the doses required to reduce cell survival to 25% of the control value obtained from hypoxic survival curves in the presence and absence of test compound	ChEMBL.	1956048

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 185605