TDR Targets

Basic information

Technical information

TDR Targets ID: 773582
Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyla mino]propanamide
MW: 250.294 | Formula: C13H18N2O3
H donors: 2 H acceptors: 1 LogP: 0.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)CCNC(C1COc2c(O1)cccc2)C
InChi: 1S/C13H18N2O3/c1-9(15-7-6-13(14)16)12-8-17-10-4-2-3-5-11(10)18-12/h2-5,9,12,15H,6-8H2,1H3,(H2,14,16)
InChiKey: FAIBDQNZDOPNDI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethylamino]propionamide
Oprea1_615897
EU-0011292

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
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0004	0.0215
Schistosoma mansoni	transient receptor potential channel	0.0066	0.0181	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0161	0.0451
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0071	0.02
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0075	0.0211
Echinococcus granulosus	muscleblind protein	0.015	0.0699	0.196
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0065	0.0182
Schistosoma mansoni	hypothetical protein	0.0105	0.0422	0.1183
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0	0.5
Brugia malayi	hypothetical protein	0.0311	0.1682	0.472
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0155	0.0728	0.2789
Brugia malayi	mbt repeat family protein	0.0048	0.0071	0.02
Echinococcus multilocularis	transient receptor potential gamma protein	0.01	0.0388	0.0388
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0184	0.0705
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0	0.5
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0154	0.072	0.202
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0112	0.0112
Echinococcus granulosus	transient receptor potential gamma protein	0.01	0.0388	0.1089
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0184	0.0705
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0111	0.0458	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0071	0.02
Echinococcus granulosus	DNA topoisomerase 1	0.0618	0.3564	1
Schistosoma mansoni	hypothetical protein	0.0296	0.1589	0.446
Brugia malayi	mbt repeat family protein	0.0048	0.0071	0.02
Loa Loa (eye worm)	hypothetical protein	0.01	0.0388	0.1089
Schistosoma mansoni	hypothetical protein	0.0049	0.0075	0.0211
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0112	0.0314
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0071	0.02
Echinococcus multilocularis	muscleblind protein 1	0.015	0.0699	0.0699
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.0184	0.0705
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0004	0.0004
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0071	0.02
Loa Loa (eye worm)	hypothetical protein	0.015	0.0699	0.196
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0112	0.0314
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.0782	0.2195
Schistosoma mansoni	transient receptor potential channel	0.01	0.0388	0.1089
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0075	0.0211
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0065	0.0182
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0013	0.0036
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0462	0.2612	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0004	0.0215
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0071	0.02
Entamoeba histolytica	hypothetical protein	0.0037	0.0004	0.0215
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0462	0.2612	1
Brugia malayi	Muscleblind-like protein	0.015	0.0699	0.196
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0075	0.0211
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0112	0.0314
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0065	0.0065
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0075	0.0075
Schistosoma mansoni	hypothetical protein	0.0049	0.0075	0.0211
Leishmania major	DNA topoisomerase IB, large subunit	0.0462	0.2612	1
Loa Loa (eye worm)	MBCTL1	0.0055	0.0112	0.0314
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.0184	0.0517
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.072	0.202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0065	0.0182
Echinococcus granulosus	GPCR family 2	0.0049	0.0075	0.0211
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0004	0.0004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0075	0.0211
Onchocerca volvulus		0.0311	0.1682	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.0782	0.2195
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.0184	0.0184
Schistosoma mansoni	transient receptor potential channel 4	0.01	0.0388	0.1089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0065	0.0182
Leishmania major	DNA topoisomerase type IB small subunit	0.0155	0.0728	0.2789
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0075	0.0075
Onchocerca volvulus		0.0095	0.0358	0.1782
Echinococcus granulosus	transcription factor eb	0.0111	0.0458	0.1285
Loa Loa (eye worm)	DNA topoisomerase I	0.0618	0.3564	1
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0075	0.0211
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.072	0.202
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.0782	0.2195
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0075	0.0075
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0111	0.0455	0.1276
Plasmodium vivax	topoisomerase I, putative	0.0618	0.3564	0.5
Echinococcus multilocularis	muscleblind protein	0.015	0.0699	0.0699
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0071	0.02
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.0184	0.0517
Schistosoma mansoni	DNA topoisomerase type I	0.0462	0.2612	0.733
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0071	0.0071
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0004	0.0012
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0311	0.1682	0.472
Toxoplasma gondii	DNA topoisomerase I, putative	0.0618	0.3564	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.0181	0.0509
Echinococcus multilocularis	DNA topoisomerase 1	0.0618	0.3564	0.3564
Brugia malayi	DNA topoisomerase I	0.0618	0.3564	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0065	0.0182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0065	0.0065
Brugia malayi	hypothetical protein	0.0037	0.0004	0.0011
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0782	0.0782
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.0422	0.1183
Schistosoma mansoni	hypothetical protein	0.0049	0.0075	0.0211
Schistosoma mansoni	DNA topoisomerase type I	0.0462	0.2612	0.733
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0782	0.0782
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0193	0.096	0.2694
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0075	0.0211
Echinococcus multilocularis	geminin	0.0174	0.0846	0.0846
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0112	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0422	0.1183
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0004	0.0012
Plasmodium falciparum	topoisomerase I	0.0618	0.3564	0.5
Echinococcus granulosus	transient receptor potential ion channel A	0.0096	0.0368	0.1032
Schistosoma mansoni	hypothetical protein	0.0174	0.0846	0.2374
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0	0.5
Echinococcus granulosus	geminin	0.0174	0.0846	0.2374
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0642	0.1802
Loa Loa (eye worm)	hypothetical protein	0.015	0.0699	0.196
Schistosoma mansoni	transient receptor potential channel	0.0066	0.0181	0.0509
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.0184	0.0517
Echinococcus multilocularis	transcription factor eb	0.0111	0.0458	0.0458
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0193	0.096	0.096
Schistosoma mansoni	hypothetical protein	0.0174	0.0846	0.2374
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0455	0.1276
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.0184	0.0517
Schistosoma mansoni	hypothetical protein	0.0037	0.0004	0.0011
Echinococcus multilocularis	transient receptor potential ion channel A	0.0096	0.0368	0.0368
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.0184	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.0181	0.0181
Schistosoma mansoni	DNA topoisomerase type I	0.0618	0.3564	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0004	0.0012
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0004	0.0011
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0071	0.02
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.072	0.202
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0004	0.0011
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0184	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0112	0.0314
Entamoeba histolytica	hypothetical protein	0.0037	0.0004	0.0215
Schistosoma mansoni	alpha-glucosidase	0.0141	0.0642	0.1802
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.0181	0.0509
Schistosoma mansoni	hypothetical protein	0.0049	0.0075	0.0211
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0065	0.0182
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0112	0.0112
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0065	0.0182
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0155	0.0728	0.2789

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

Search by Saint Jude

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 773582