TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.453 | Formula: C18H28N6O4
H donors: 6 H acceptors: 4 LogP: 0.3 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1ccccc1)C)CCC(=O)N)C
InChi: 1S/C18H28N6O4/c1-11(20-3)16(26)22-14(9-10-15(19)25)18(28)21-12(2)17(27)24-23-13-7-5-4-6-8-13/h4-8,11-12,14,20,23H,9-10H2,1-3H3,(H2,19,25)(H,21,28)(H,22,26)(H,24,27)/t11-,12-,14-/m0/s1
InChiKey: CFZWLGHIQPJMRF-OBJOEFQTSA-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 granulosus	betaine aldehyde dehydrogenase	0.0004	0.0002	0.0002
Toxoplasma gondii	protein c14orf29, putative	0.005	0.0342	0.68
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0002	0.0002
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.005	0.0342	0.0545
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0501	0.0802
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0501	0.0802
Trypanosoma cruzi	amidase, putative	0.0163	0.1182	0.1896
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1347	1	1
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0167	0.1218	0.1218
Trypanosoma brucei	lipase domain protein, putative	0.0167	0.1218	0.1953
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0342	0.0545
Loa Loa (eye worm)	amidase	0.0163	0.1182	0.1182
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0163	0.1182	0.1896
Schistosoma mansoni	amidase	0.1347	1	1
Brugia malayi	Amidase family protein	0.0163	0.1182	0.1182
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.084	0.6227	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0342	0.0342
Entamoeba histolytica	hypothetical protein	0.005	0.0342	0.0545
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0163	0.1182	0.1429
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0004	0.0002	0.0002
Schistosoma mansoni	fatty-acid amide hydrolase	0.1347	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.084	0.6227	1
Echinococcus granulosus	abhydrolase domain containing protein 13	0.005	0.0342	0.0342
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.005	0.0342	0.0545
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0501	0.0499
Schistosoma mansoni	peptidase	0.005	0.0342	0.034
Mycobacterium ulcerans	peptide amidase, GatA	0.0163	0.1182	0.1896
Echinococcus multilocularis	Fatty aldehyde dehydrogenase	0.0004	0.0002	0.0002
Toxoplasma gondii	phospholipase	0.005	0.0342	0.68
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.005	0.0342	0.68
Leishmania major	hypothetical protein, conserved	0.0167	0.1218	0.1953
Trichomonas vaginalis	lipase containing protein, putative	0.0167	0.1218	0.1953
Trypanosoma brucei	lipase domain protein, putative	0.0167	0.1218	0.1953
Echinococcus multilocularis	betaine aldehyde dehydrogenase	0.0004	0.0002	0.0002
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0501	0.0499
Loa Loa (eye worm)	aldehyde dehydrogenase	0.0004	0.0002	0.0002
Echinococcus multilocularis	aldehyde dehydrogenase family 3 member B1	0.0004	0.0002	0.0002
Plasmodium falciparum	lysophospholipase, putative	0.084	0.6227	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0163	0.1182	0.1896
Trypanosoma cruzi	monoglyceride lipase, putative	0.084	0.6227	1
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0163	0.1182	0.1896
Echinococcus granulosus	transient receptor potential cation channel	0.0343	0.2523	0.2523
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.005	0.0342	0.0545
Echinococcus multilocularis	transient receptor potential cation channel	0.0343	0.2527	0.2527
Brugia malayi	Succinate semialdehyde dehydrogenase, mitochondrial precursor	0.0004	0.0002	0.0002
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0342	0.0545
Loa Loa (eye worm)	hypothetical protein	0.1347	1	1
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.005	0.0342	0.0545
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0163	0.1182	0.1896
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Toxoplasma gondii	phospholipase/carboxylesterase	0.005	0.0342	0.68
Trypanosoma cruzi	serine peptidase, putative	0.005	0.0342	0.0545
Toxoplasma gondii	hypothetical protein	0.005	0.0342	0.68
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.084	0.6227	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0342	0.0342
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0163	0.1182	0.1429
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0163	0.1182	0.1182
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.005	0.0342	0.0545
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.084	0.6227	1
Plasmodium falciparum	lysophospholipase, putative	0.084	0.6227	1
Echinococcus granulosus	succinate semialdehyde dehydrogenase	0.0004	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.005	0.0342	0.0342
Plasmodium vivax	PST-A protein	0.084	0.6227	1
Trypanosoma brucei	monoglyceride lipase, putative	0.084	0.6227	1
Loa Loa (eye worm)	delta-1-pyrroline-5-carboxylate dehydrogenase	0.0004	0.0002	0.0002
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0163	0.1182	0.1896
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1347	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0342	0.0342
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.005	0.0342	0.034
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.005	0.0342	0.0545
Brugia malayi	putative amidase	0.0163	0.1182	0.1182
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0163	0.1182	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1347	1	1
Mycobacterium ulcerans	amidase	0.0163	0.1182	0.1896
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0163	0.1182	0.1182
Echinococcus multilocularis	abhydrolase domain containing 3	0.005	0.0342	0.0342
Trypanosoma cruzi	hypothetical protein, conserved	0.0167	0.1218	0.1953
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.005	0.0342	0.0545
Schistosoma mansoni	fatty-acid amide hydrolase	0.0163	0.1182	0.1181
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0339	0.2499	0.2498
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.084	0.6227	1
Leishmania major	hypothetical protein, conserved	0.005	0.0342	0.0545
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0163	0.1182	0.1182
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0167	0.1218	0.1218
Mycobacterium ulcerans	lysophospholipase	0.084	0.6227	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0501	0.0802
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0163	0.1182	0.1896
Echinococcus granulosus	Fatty aldehyde dehydrogenase	0.0004	0.0002	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Trichomonas vaginalis	conserved hypothetical protein	0.084	0.6227	1
Echinococcus multilocularis	Phospholipase carboxylesterase	0.005	0.0342	0.0342
Mycobacterium ulcerans	amidase	0.0163	0.1182	0.1896
Plasmodium falciparum	esterase, putative	0.084	0.6227	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0342	0.0545
Trichomonas vaginalis	lipase containing protein, putative	0.0167	0.1218	0.1953
Loa Loa (eye worm)	aldehyde dehydrogenase 4	0.0004	0.0002	0.0002
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0163	0.1182	0.1181
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.005	0.0342	0.0545
Mycobacterium ulcerans	amidase	0.0163	0.1182	0.1896
Mycobacterium ulcerans	amidase	0.0163	0.1182	0.1896
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0004	0.0002	0.0002
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0342	0.0545
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0501	0.0501
Mycobacterium tuberculosis	Possible lysophospholipase	0.084	0.6227	1
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0002	0.0002
Brugia malayi	Lipase family protein	0.0167	0.1218	0.1218
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.005	0.0342	0.0545
Toxoplasma gondii	hypothetical protein	0.005	0.0342	0.68
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Echinococcus granulosus	aldehyde dehydrogenase family 3 member B1	0.0004	0.0002	0.0002
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.005	0.0342	0.0545
Toxoplasma gondii	hypothetical protein	0.005	0.0342	0.68
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.005	0.0342	0.0545
Plasmodium falciparum	lysophospholipase, putative	0.084	0.6227	1
Loa Loa (eye worm)	lipase	0.0167	0.1218	0.1218
Brugia malayi	aldehyde dehydrogenase	0.0004	0.0002	0.0002
Trypanosoma cruzi	serine peptidase, putative	0.005	0.0342	0.0545
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0163	0.1182	1
Onchocerca volvulus		0.0167	0.1218	1
Brugia malayi	Amidase family protein	0.0163	0.1182	0.1182
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0501	0.0802
Entamoeba histolytica	;Alias	0.005	0.0342	0.0545
Trypanosoma cruzi	amidase, putative	0.0163	0.1182	0.1896
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.084	0.6227	1
Toxoplasma gondii	hypothetical protein	0.005	0.0342	0.68
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1347	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0163	0.1182	1
Leishmania major	monoglyceride lipase, putative	0.084	0.6227	1
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.005	0.0342	0.68
Echinococcus granulosus	abhydrolase domain containing 3	0.005	0.0342	0.0342
Mycobacterium tuberculosis	Conserved hypothetical protein	0.005	0.0342	0.0545
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.005	0.0342	0.0545
Mycobacterium ulcerans	hypothetical protein	0.005	0.0342	0.0545
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.084	0.6227	1
Leishmania major	hypothetical protein, conserved	0.005	0.0342	0.0545
Loa Loa (eye worm)	hypothetical protein	0.005	0.0342	0.0342
Brugia malayi	Aldehyde dehydrogenase protein 4	0.0004	0.0002	0.0002
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.005	0.0342	0.0342
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.005	0.0342	1
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.005	0.0342	0.68
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0501	0.0802
Echinococcus granulosus	ankyrin repeat protein	0.0339	0.2499	0.2499
Brugia malayi	MGC79044 protein	0.005	0.0342	0.0342
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0163	0.1182	0.1896
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0163	0.1182	0.1182
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.005	0.0342	0.034
Toxoplasma gondii	peptidase S15, putative	0.005	0.0342	0.68
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.005	0.0342	0.0545
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.005	0.0342	0.0342
Trypanosoma cruzi	hypothetical protein, conserved	0.0167	0.1218	0.1953
Loa Loa (eye worm)	amidase	0.0163	0.1182	0.1182
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0163	0.1182	0.1896
Echinococcus multilocularis	ankyrin repeat protein	0.0339	0.2499	0.2499
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.084	0.6227	1
Entamoeba histolytica	hypothetical protein	0.005	0.0342	0.0545
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0342	0.0545
Leishmania major	hypothetical protein, conserved	0.0163	0.1182	0.1896
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.005	0.0342	0.0545
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0163	0.1182	0.1896
Trypanosoma brucei	monoglyceride lipase, putative	0.084	0.6227	1
Mycobacterium ulcerans	hypothetical protein	0.005	0.0342	0.0545
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0501	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.084	0.6227	1
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.005	0.0342	0.0545
Echinococcus granulosus	Phospholipase carboxylesterase	0.005	0.0342	0.0342
Mycobacterium ulcerans	amidase	0.0163	0.1182	0.1896
Mycobacterium ulcerans	hydrolase	0.005	0.0342	0.0545
Brugia malayi	MGC83647 protein	0.005	0.0342	0.0342
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.084	0.6227	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0501	0.0501
Brugia malayi	Protein C20orf22	0.005	0.0342	0.0342
Mycobacterium ulcerans	hypothetical protein	0.084	0.6227	1
Brugia malayi	Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor	0.0004	0.0002	0.0002

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: CHEMBL1624541

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 1459577