TDR Targets

Basic information

Technical information

TDR Targets ID: 1558727
Name: N-[2-[5-[3-(tert-butylamino)-2-hydroxypropoxy ]-1H-indol-3-yl]ethyl]acetamide
MW: 347.452 | Formula: C19H29N3O3
H donors: 4 H acceptors: 2 LogP: 1.53 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: OC(COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2)CNC(C)(C)C
InChi: 1S/C19H29N3O3/c1-13(23)20-8-7-14-10-21-18-6-5-16(9-17(14)18)25-12-15(24)11-22-19(2,3)4/h5-6,9-10,15,21-22,24H,7-8,11-12H2,1-4H3,(H,20,23)
InChiKey: YHWFSLPHIBXEHP-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

N-[2-[5-[3-(tert-butylamino)-2-hydroxy-propoxy]-1H-indol-3-yl]ethyl]acetamide
N-[2-[5-[3-(tert-butylamino)-2-hydroxy-propoxy]-1H-indol-3-yl]ethyl]ethanamide
AI-981/36563010

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
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Brugia malayi	beta-lactamase family protein	0.0035	0.096	0.096
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0557	0.0501
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.0494	0.0494
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.096	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.6055	0.6055
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Schistosoma mansoni	sodium/chloride dependent transporter	0.0146	0.6055	0.6032
Onchocerca volvulus		0.0035	0.096	0.049
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.0494	0.0494
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0174	0.7336	0.7336
Schistosoma mansoni	sodium/chloride dependent transporter	0.0025	0.0494	0.0437
Echinococcus granulosus	lamin	0.0026	0.0557	0.0501
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0557	0.0557
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Onchocerca volvulus		0.0035	0.096	0.049
Brugia malayi	beta-lactamase	0.0035	0.096	0.096
Echinococcus granulosus	sodium and chloride dependent glycine	0.0025	0.0494	0.0437
Brugia malayi	hypothetical protein	0.0025	0.0494	0.0494
Mycobacterium leprae	Probable lipase LipE	0.0035	0.096	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0025	0.0494	0.0437
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0146	0.6055	0.6032
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0161	0.6755	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0025	0.0494	0.0494
Loa Loa (eye worm)	norepinephrine transporter	0.0146	0.6055	0.6055
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Schistosoma mansoni	sodium/chloride dependent transporter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0146	0.6055	0.6055
Leishmania major	C-8 sterol isomerase-like protein	0.0174	0.7336	1
Brugia malayi	beta-lactamase family protein	0.0035	0.096	0.096
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0174	0.7336	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0025	0.0494	0.0437
Echinococcus granulosus	lamin dm0	0.0026	0.0557	0.0501
Echinococcus granulosus	serotonin transporter	0.0146	0.6055	0.6032
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0146	0.6055	0.6055
Trichomonas vaginalis	esterase, putative	0.0035	0.096	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.9598	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.096	0.0906
Onchocerca volvulus		0.0146	0.6055	0.585
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	beta-lactamase	0.0035	0.096	0.096
Echinococcus granulosus	sodium and chloride dependent glycine	0.0025	0.0494	0.0437
Echinococcus multilocularis	lamin	0.0026	0.0557	0.0501
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.096	0.0906
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0059	0.0059
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0174	0.7336	0.7336
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.096	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0025	0.0494	0.0437
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.096	0.5
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Onchocerca volvulus		0.0035	0.096	0.049
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0536	0.0536
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0025	0.0494	0.0494
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.096	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.096	0.5
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0025	0.0494	0.0437
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.096	0.0906
Brugia malayi	intermediate filament protein	0.0026	0.0557	0.0557
Echinococcus multilocularis	musashi	0.0026	0.0557	0.0501
Onchocerca volvulus		0.0026	0.0557	0.0067
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0232	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Plasmodium falciparum	transporter, putative	0.0025	0.0494	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0146	0.6055	0.5
Onchocerca volvulus		0.0026	0.0557	0.0067
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0232	1	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0025	0.0494	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.6055	0.6055
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1576	0.1576
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0557	0.0557
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Plasmodium falciparum	amino acid transporter, putative	0.0025	0.0494	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0174	0.7336	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1576	0.1576
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Schistosoma mansoni	hypothetical protein	0.0164	0.6901	0.6883
Schistosoma mansoni	lamin	0.0026	0.0557	0.0501
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0874	0.0874
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Schistosoma mansoni	vesicular acetylcholine transporter	0.0232	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0557	0.0557
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.096	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0494	0.0494
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0161	0.6755	0.6709
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0025	0.0494	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0035	0.096	0.096
Echinococcus granulosus	geminin	0.0164	0.6901	0.6883
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0059	0.0059
Echinococcus multilocularis	lamin dm0	0.0026	0.0557	0.0501
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1576	0.1576
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0232	1	1
Echinococcus granulosus	vesicular acetylcholine transporter	0.0232	1	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0874	0.082
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0025	0.0494	0.0494
Schistosoma mansoni	lamin	0.0026	0.0557	0.0501
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Echinococcus granulosus	intermediate filament protein	0.0026	0.0557	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0874	0.0874
Toxoplasma gondii	ABC1 family protein	0.0035	0.096	1
Loa Loa (eye worm)	serotonin transporter b	0.0146	0.6055	0.6055
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0059	0.0059
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.096	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Schistosoma mansoni	hypothetical protein	0.0164	0.6901	0.6883
Echinococcus multilocularis	geminin	0.0164	0.6901	0.6883
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.096	0.0906
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.0494	0.0437
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1576	0.1576
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0146	0.6055	0.6055
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.096	0.096
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.096	0.096
Echinococcus multilocularis	serotonin transporter	0.0146	0.6055	0.6032

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: CHEMBL1739262

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1558727