TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 261.32 | Formula: C14H19N3O2
H donors: 1 H acceptors: 3 LogP: 0.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(NC(=O)c1cccc(n1)C)CN1CCCC1=O
InChi: 1S/C14H19N3O2/c1-10-5-3-6-12(15-10)14(19)16-11(2)9-17-8-4-7-13(17)18/h3,5-6,11H,4,7-9H2,1-2H3,(H,16,19)
InChiKey: RKDMCODVNAILMV-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	Intermediate filament tail domain containing protein	0.005	0.0752	0.074
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.1321	0.1392
Schistosoma mansoni	hypothetical protein	0.005	0.0749	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.0517
Echinococcus granulosus	lamin dm0	0.005	0.0752	0.0787
Trypanosoma cruzi	aminopeptidase, putative	0.0042	0.0566	0.4983
Echinococcus multilocularis		0.0025	0.0145	0.0141
Toxoplasma gondii	aminopeptidase n, putative	0.0042	0.0566	0.5
Brugia malayi	POT family protein	0.005	0.0759	0.0747
Loa Loa (eye worm)	hypothetical protein	0.005	0.0757	0.0708
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0042	0.0566	0.0517
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0407	0.9406	1
Echinococcus multilocularis	musashi	0.005	0.0752	0.0787
Brugia malayi	PHD-finger family protein	0.0031	0.0286	0.0273
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0024	0.0127	0.0122
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0158	0.3383	0.3588
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0053	0.0831	0.5
Schistosoma mansoni	hypothetical protein	0.0062	0.1042	0.1107
Brugia malayi	Hemopexin family protein	0.0062	0.1042	0.103
Brugia malayi	Peptidase family M1 containing protein	0.0042	0.0566	0.0554
Loa Loa (eye worm)	bromodomain containing protein	0.0022	0.007	0.0018
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0431	1	1
Brugia malayi	hypothetical protein	0.0042	0.0566	0.0554
Trypanosoma brucei	Aminopeptidase M1, putative	0.0042	0.0566	0.4983
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0042	0.0566	0.4983
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0027	0.0191	0.014
Loa Loa (eye worm)	matrixin family protein	0.0105	0.2097	0.2056
Brugia malayi	Bromodomain containing protein	0.0047	0.0684	0.0672
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0407	0.9406	1
Giardia lamblia	Protein phosphatase PP2A regulatory subunit B	0.0066	0.1137	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Brugia malayi	TATA binding protein associated factor	0.0042	0.0566	0.0554
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0042	0.0566	0.0602
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0052	0.0042
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0103	0.2052	0.2181
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.0361	0.8313	0.8838
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0042	0.0566	0.0589
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Brugia malayi	Matrixin family protein	0.0044	0.0601	0.0588
Echinococcus multilocularis	geminin	0.0358	0.8224	0.8741
Echinococcus multilocularis	lamin	0.005	0.0752	0.0787
Loa Loa (eye worm)	aminopeptidase N	0.0042	0.0566	0.0517
Brugia malayi	serine/threonine protein phosphatase 2A	0.0066	0.1137	0.1125
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0042	0.0566	0.4983
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0042	0.0566	0.4983
Echinococcus multilocularis	lamin dm0	0.005	0.0752	0.0787
Trichomonas vaginalis	serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative	0.0066	0.1137	1
Trypanosoma cruzi	aminopeptidase, putative	0.0042	0.0566	0.4983
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.0517
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0042	0.0566	0.0602
Mycobacterium ulcerans	hydrolase	0.0053	0.0831	1
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0042	0.0566	0.0602
Loa Loa (eye worm)	matrix metalloproteinase	0.0044	0.0601	0.0551
Schistosoma mansoni	lamin	0.005	0.0752	0.0799
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.1321	0.1392
Brugia malayi	Matrixin family protein	0.0044	0.0601	0.0588
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0052	0.0055
Echinococcus multilocularis	protein phosphatase pp2a regulatory subunit b	0.0066	0.1137	0.1197
Loa Loa (eye worm)	intermediate filament protein	0.005	0.0752	0.0703
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0052	0.0055
Brugia malayi	intermediate filament protein	0.005	0.0752	0.074
Trypanosoma cruzi	protein phosphatase 2A regulatory subunit, putative	0.0066	0.1137	1
Loa Loa (eye worm)	POT family protein	0.005	0.0759	0.0711
Brugia malayi	hypothetical protein	0.0364	0.8385	0.8383
Brugia malayi	Peptidase family M1 containing protein	0.0042	0.0566	0.0554
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0052	0.0042
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0042	0.0566	0.4983
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0289	0.0239
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0052	0.0042
Brugia malayi	Peptidase family M1 containing protein	0.0042	0.0566	0.0554
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0052	0.0055
Toxoplasma gondii	aminopeptidase N protein	0.0042	0.0566	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0053	0.0831	0.0819
Toxoplasma gondii	aminopeptidase N, putative	0.0042	0.0566	0.5
Loa Loa (eye worm)	TATA binding protein associated factor	0.0042	0.0566	0.0517
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0407	0.9406	0.9403
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.0517
Onchocerca volvulus	Matrilysin homolog	0.0097	0.1886	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0601	0.0551
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0097	0.1886	1
Onchocerca volvulus		0.005	0.0752	0.1404
Trypanosoma cruzi	protein phosphatase 2A regulatory subunit, putative	0.0066	0.1137	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Schistosoma mansoni	hypothetical protein	0.0025	0.0159	0.0169
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0044	0.0614	0.064
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1648	0.1605
Schistosoma mansoni	memapsin-2 (A01 family)	0.0074	0.1344	0.1429
Loa Loa (eye worm)	serine/threonine protein phosphatase 2A	0.0066	0.1137	0.109
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0042	0.0566	0.4983
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0066	0.1139	0.1211
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0024	0.0127	0.0122
Schistosoma mansoni	protein phosphatase pp2a regulatory subunit B	0.0066	0.1137	0.1209
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Loa Loa (eye worm)	hypothetical protein	0.005	0.0752	0.0703
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0042	0.0566	0.4983
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0831	0.0782
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0028	0.0215	0.0216
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0042	0.0566	0.5
Echinococcus granulosus	geminin	0.0358	0.8224	0.8741
Brugia malayi	hypothetical protein	0.0042	0.0566	0.0554
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0042	0.0566	0.5
Trypanosoma brucei	protein phosphatase 2A regulatory subunit, putative	0.0066	0.1137	1
Brugia malayi	Bromodomain containing protein	0.0092	0.1776	0.1765
Schistosoma mansoni	hypothetical protein	0.0358	0.8224	0.8743
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0127	0.0076
Leishmania major	hypothetical protein, conserved	0.0066	0.1137	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0052	0.0055
Brugia malayi	celfurPC protein	0.0025	0.0145	0.0133
Echinococcus granulosus	lamin	0.005	0.0752	0.0787
Leishmania major	protein phosphatase 2A regulatory subunit, putative	0.0066	0.1137	1
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0158	0.3383	0.3588
Echinococcus granulosus	intermediate filament protein	0.005	0.0752	0.0787
Echinococcus granulosus	zinc finger protein	0.0024	0.0127	0.0122
Brugia malayi	Matrixin family protein	0.0044	0.0601	0.0588
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Brugia malayi	endoprotease bli-4 precursor	0.0031	0.0289	0.0277
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.1137	1
Echinococcus granulosus	furin	0.0031	0.0289	0.0295
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0052	0.0042
Schistosoma mansoni	intermediate filament proteins	0.005	0.0752	0.0799
Mycobacterium leprae	PROBABLE HYDROLASE	0.0053	0.0831	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0042	0.0566	0.4983
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0031	0.0289	0.0308
Echinococcus multilocularis	zinc finger protein	0.0024	0.0127	0.0122
Schistosoma mansoni	lamin	0.005	0.0752	0.0799
Onchocerca volvulus		0.005	0.0752	0.1404
Onchocerca volvulus	Protein phosphatase PP2A 55 kDa regulatory subunit homolog	0.0066	0.1137	0.4322
Echinococcus multilocularis	aminopeptidase N	0.0042	0.0566	0.0589
Loa Loa (eye worm)	matrixin family protein	0.0097	0.1886	0.1844
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Onchocerca volvulus		0.0062	0.1042	0.3601
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0601	0.0551
Trypanosoma brucei	hypothetical protein, conserved	0.0066	0.1137	1
Echinococcus granulosus	protein phosphatase pp2a regulatory subunit b	0.0066	0.1137	0.1197
Trypanosoma brucei	aminopeptidase, putative	0.0042	0.0566	0.4983
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.1137	1
Echinococcus granulosus	aminopeptidase N	0.0042	0.0566	0.0589
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0049	0.073	0.0681
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0042	0.0566	0.5
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0042	0.0566	0.4983
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0044	0.0614	0.064
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0601	0.0551
Loa Loa (eye worm)	endoprotease bli-4	0.0031	0.0289	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.0053
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0042	0.0566	0.0589
Onchocerca volvulus	Matrilysin homolog	0.0044	0.0601	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0813	0.0765
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0407	0.9406	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0042	0.0566	0.4983
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0042	0.0566	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0686	0.0637
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0159	0.0107
Trichomonas vaginalis	protein phosphatase PP2A regulatory subunit B, putative	0.0066	0.1137	1
Trichomonas vaginalis	protein phosphatase pp2a regulatory subunit B, putative	0.0066	0.1137	1
Schistosoma mansoni	bromodomain containing protein	0.0078	0.1427	0.1517
Brugia malayi	cytoplasmic intermediate filament protein	0.0027	0.0191	0.0179
Brugia malayi	Matrixin family protein	0.0105	0.2097	0.2087
Entamoeba histolytica	protein phosphatase regulatory subunit, putative	0.0066	0.1137	1
Schistosoma mansoni	hypothetical protein	0.0358	0.8224	0.8743
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0042	0.0566	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0042	0.0566	0.4983
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0042	0.0566	0.4983
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0028	0.0215	0.0229
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0044	0.0601	0.0638
Brugia malayi	Matrixin family protein	0.0044	0.0601	0.0588
Onchocerca volvulus		0.0044	0.0601	0.0258
Echinococcus granulosus	fetal alzheimer antigen falz	0.0028	0.0215	0.0216
Schistosoma mansoni	zinc finger protein	0.0024	0.0127	0.0135
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.005	0.0752	0.0703
Trypanosoma brucei	Aminopeptidase M1, putative	0.0042	0.0566	0.4983

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: CHEMBL3490310

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 2071808