TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 531.729 | Formula: C33H45N3O3
H donors: 1 H acceptors: 2 LogP: 7.12 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C21CCN(CC2)CCc1cccc(c1)Oc1ccccc1
InChi: 1S/C33H45N3O3/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1
InChiKey: SSTLFVIKGGGGDX-PMERELPUSA-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
Mycobacterium ulcerans	aminopeptidase N PepN	0.01	0.0326	1
Loa Loa (eye worm)	hypothetical protein	0.0486	0.2424	0.2424
Echinococcus multilocularis	phd:f box containing protein	0.0075	0.019	0.019
Schistosoma mansoni	survival motor neuron protein	0.0099	0.0322	0.0322
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0122	0.0448	0.0448
Schistosoma mansoni	hypothetical protein	0.0099	0.0322	0.0322
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0075	0.019	0.019
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.1878	1	1
Mycobacterium leprae	Probable lipase LipE	0.004	0	0.5
Brugia malayi	hypothetical protein	0.0864	0.448	1
Loa Loa (eye worm)	peptidase family M1 containing protein	0.01	0.0326	0.0326
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0326	0.0727
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.01	0.0326	0.0326
Schistosoma mansoni	phd/f-box containing protein	0.0075	0.019	0.019
Echinococcus multilocularis	JmjC domain containing protein 4	0.0075	0.019	0.019
Onchocerca volvulus	Huntingtin homolog	0.012	0.0436	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0158	0.0158
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0331	0.074
Brugia malayi	PHD-finger family protein	0.018	0.076	0.1697
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0118	0.0424	0.0424
Echinococcus multilocularis	aminopeptidase N	0.01	0.0326	0.0326
Brugia malayi	F/Y-rich N-terminus family protein	0.0063	0.0127	0.0283
Schistosoma mansoni	hypothetical protein	0.018	0.076	0.076
Brugia malayi	MH2 domain containing protein	0.0132	0.0503	0.1122
Echinococcus granulosus	dna polymerase eta	0.0043	0.0018	0.0018
Onchocerca volvulus		0.01	0.0326	0.0643
Trypanosoma brucei	DNA polymerase eta, putative	0.0043	0.0018	0.0558
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.01	0.0326	0.3396
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0122	0.0448	0.0448
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0281	0.1309	0.1309
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0255	0.117	1
Brugia malayi	hypothetical protein	0.01	0.0326	0.0727
Loa Loa (eye worm)	jmjC domain-containing protein	0.0075	0.019	0.019
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.01	0.0326	0.0326
Giardia lamblia	PHD finger protein 15	0.018	0.076	0.5
Loa Loa (eye worm)	hypothetical protein	0.01	0.0326	0.0326
Schistosoma mansoni	DNA polymerase eta	0.0043	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.01	0.0326	0.0326
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0853	0.4421	0.4421
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Toxoplasma gondii	PHD-finger domain-containing protein	0.0059	0.0102	0.1346
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0331	0.0331
Onchocerca volvulus		0.0099	0.0322	0.0635
Schistosoma mansoni	jumonji domain containing protein	0.0531	0.2669	0.2669
Trypanosoma brucei	Aminopeptidase M1, putative	0.01	0.0326	1
Brugia malayi	Pre-SET motif family protein	0.0853	0.4421	0.9868
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.01	0.0326	0.4285
Toxoplasma gondii	aminopeptidase N, putative	0.01	0.0326	0.4285
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.1878	1	1
Entamoeba histolytica	aminopeptidase, putative	0.01	0.0326	0.5
Brugia malayi	Bromodomain containing protein	0.018	0.076	0.1697
Echinococcus granulosus	aminopeptidase N	0.01	0.0326	0.0326
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.019	0.019
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.01	0.0326	0.0326
Loa Loa (eye worm)	jmjC domain-containing protein	0.0075	0.019	0.019
Toxoplasma gondii	aminopeptidase n, putative	0.01	0.0326	0.4285
Schistosoma mansoni	hypothetical protein	0.0532	0.2675	0.2675
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0122	0.0448	0.5896
Schistosoma mansoni	hypothetical protein	0.0532	0.2675	0.2675
Schistosoma mansoni	phosphatidylserine receptor	0.0075	0.019	0.019
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.0503	0.0503
Onchocerca volvulus	Alhambra homolog	0.018	0.076	0.1502
Trypanosoma cruzi	aminopeptidase, putative	0.01	0.0326	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0075	0.019	0.019
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.1878	1	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0326	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.01	0.0326	1
Onchocerca volvulus	Huntingtin homolog	0.012	0.0436	0.0861
Leishmania major	hypothetical protein, conserved	0.0075	0.019	0.583
Onchocerca volvulus		0.0971	0.5062	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0436	0.0436
Plasmodium vivax	hypothetical protein, conserved	0.0059	0.0102	0.1346
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0075	0.019	0.583
Brugia malayi	TATA binding protein associated factor	0.01	0.0326	0.0727
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0122	0.0448	0.0448
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0075	0.019	0.2498
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0331	0.074
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0075	0.019	0.1332
Schistosoma mansoni	hypothetical protein	0.0059	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0331	0.0331
Echinococcus granulosus	lysine specific demethylase 5A	0.0281	0.1309	0.1309
Onchocerca volvulus		0.0122	0.0448	0.0885
Brugia malayi	hypothetical protein	0.01	0.0326	0.0727
Echinococcus granulosus	jumonji domain containing 1A	0.0075	0.019	0.019
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0075	0.019	0.019
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.01	0.0326	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.01	0.0326	0.0643
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.01	0.0326	0.0643
Onchocerca volvulus		0.01	0.0326	0.0643
Echinococcus granulosus	jumonji domain containing protein	0.025	0.1143	0.1143
Echinococcus multilocularis	geminin	0.0532	0.2675	0.2675
Brugia malayi	AF-10 protein	0.0059	0.0102	0.0228
Brugia malayi	jmjC domain containing protein	0.0075	0.019	0.0424
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0652	0.3327	0.3327
Leishmania major	DNA polymerase eta, putative	0.0043	0.0018	0.0558
Toxoplasma gondii	aminopeptidase N protein	0.01	0.0326	0.4285
Echinococcus multilocularis	lysine specific demethylase 6a	0.0075	0.019	0.019
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.01	0.0326	0.3396
Loa Loa (eye worm)	hypothetical protein	0.0075	0.019	0.019
Echinococcus granulosus	peregrin	0.018	0.076	0.076
Echinococcus multilocularis	lysine specific demethylase 5A	0.0281	0.1309	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0325	0.155	0.155
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0075	0.019	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0018	0.0018
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.01	0.0326	1
Trypanosoma brucei	aminopeptidase, putative	0.01	0.0326	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0326	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.01	0.0326	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0122	0.0448	0.0448
Trichomonas vaginalis	set domain proteins, putative	0.0971	0.5062	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.01	0.0326	0.0326
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.01	0.0326	0.4285
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.01	0.0326	0.0643
Brugia malayi	jmjC domain containing protein	0.0075	0.019	0.0424
Brugia malayi	jmjC domain containing protein	0.0075	0.019	0.0424
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.01	0.0326	1
Plasmodium falciparum	phd finger protein, putative	0.018	0.076	1
Brugia malayi	PHD-finger family protein	0.0059	0.0102	0.0228
Trypanosoma brucei	Aminopeptidase M1, putative	0.01	0.0326	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0326	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0326	1
Brugia malayi	hypothetical protein	0.0486	0.2424	0.5411
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.01	0.0326	0.0326
Toxoplasma gondii	PHD-finger domain-containing protein	0.018	0.076	1
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0059	0.0102	0.3141
Echinococcus granulosus	JmjC domain containing protein 4	0.0075	0.019	0.019
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.018	0.076	0.076
Brugia malayi	ImpB/MucB/SamB family protein	0.0043	0.0018	0.0041
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Plasmodium vivax	hypothetical protein, conserved	0.018	0.076	1
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0075	0.019	0.583
Loa Loa (eye worm)	PHD-finger family protein	0.018	0.076	0.076
Schistosoma mansoni	hypothetical protein	0.0069	0.0158	0.0158
Echinococcus multilocularis	jumonji domain containing 1A	0.0075	0.019	0.019
Plasmodium vivax	SET domain protein, putative	0.0122	0.0448	0.5896
Brugia malayi	hypothetical protein	0.012	0.0436	0.0973
Loa Loa (eye worm)	aminopeptidase N	0.01	0.0326	0.0326
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0075	0.019	0.583
Echinococcus granulosus	PHD finger protein rhinoceros	0.018	0.076	0.076
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0122	0.0448	0.0448
Mycobacterium leprae	conserved hypothetical protein	0.004	0	0.5
Schistosoma mansoni	protein phosphatase 2C	0.0075	0.019	0.019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0122	0.0448	0.0448
Loa Loa (eye worm)	jmjC domain-containing protein	0.0281	0.1309	0.1309
Echinococcus granulosus	geminin	0.0532	0.2675	0.2675
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0122	0.0448	0.0448
Plasmodium vivax	JmjC domain containing protein	0.0075	0.019	0.2498
Trypanosoma cruzi	Aminopeptidase M1, putative	0.01	0.0326	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.01	0.0326	1
Brugia malayi	jmjC domain containing protein	0.0281	0.1309	0.2922
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0099	0.0322	0.0718
Echinococcus granulosus	survival motor neuron protein 1	0.0486	0.2424	0.2424
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0075	0.019	0.019
Brugia malayi	jmjC domain containing protein	0.0652	0.3327	0.7425
Loa Loa (eye worm)	hypothetical protein	0.018	0.076	0.076
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0158	0.0352
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0059	0.0102	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0448	0.0448
Echinococcus granulosus	phd:f box containing protein	0.0075	0.019	0.019
Brugia malayi	jmjC domain containing protein	0.0075	0.019	0.0424
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.01	0.0326	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0652	0.3327	0.3327
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Echinococcus multilocularis	PHD finger protein rhinoceros	0.018	0.076	0.076
Echinococcus granulosus	lysine specific demethylase 6a	0.0075	0.019	0.019
Toxoplasma gondii	PHD-finger domain-containing protein	0.018	0.076	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0436	0.0436
Loa Loa (eye worm)	TATA binding protein associated factor	0.01	0.0326	0.0326
Trypanosoma cruzi	aminopeptidase, putative	0.01	0.0326	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.0503	0.0503
Echinococcus multilocularis	dna polymerase eta	0.0043	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0075	0.019	0.019
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0326	0.0727
Onchocerca volvulus		0.01	0.0326	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0102	0.0102
Loa Loa (eye worm)	jmjC domain-containing protein	0.0371	0.1801	0.1801
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0281	0.1309	0.1309
Echinococcus multilocularis	jumonji domain containing protein	0.025	0.1143	0.1143
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0326	0.0727
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0326	0.0326
Schistosoma mansoni	aminopeptidase A (M01 family)	0.01	0.0326	0.0326
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0059	0.0102	0.1346
Brugia malayi	Pre-SET motif family protein	0.0122	0.0448	0.1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0043	0.0018	0.0558
Echinococcus multilocularis	survival motor neuron protein 1	0.0486	0.2424	0.2424
Echinococcus multilocularis	peregrin	0.018	0.076	0.076

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: CHEMBL1198032

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 1165353