TDR Targets

Basic information

Technical information

TDR Targets ID: 16411
Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3,6-trim ethoxybenzamide
MW: 322.399 | Formula: C17H26N2O4
H donors: 1 H acceptors: 1 LogP: 2.07 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCCC1CNC(=O)c1c(OC)ccc(c1OC)OC
InChi: 1S/C17H26N2O4/c1-5-19-10-6-7-12(19)11-18-17(20)15-13(21-2)8-9-14(22-3)16(15)23-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)
InChiKey: XQWBYOCDKGECKG-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-[(1-ethylpyrrolidin-2-yl)methyl]-2,3,6-trimethoxy-benzamide
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3,6-trimethoxybenzamide

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
Toxoplasma gondii	aldehyde dehydrogenase	0.0195	0.1261	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0323	0.2217	0.5
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.0048	0.0107
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0462	0.3254	0.5018
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.047	0.3319	0.5118
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Trichomonas vaginalis	glutaminase, putative	0.0287	0.1947	0.8755
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.1364	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0195	0.1261	0.38
Loa Loa (eye worm)	hypothetical protein	0.0462	0.3254	0.5018
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Mycobacterium ulcerans	hydrolase	0.047	0.3319	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0195	0.1261	0.2827
Schistosoma mansoni	aldehyde dehydrogenase	0.0195	0.1261	0.2489
Schistosoma mansoni	aldehyde dehydrogenase	0.0195	0.1261	0.2489
Mycobacterium ulcerans	glutaminase	0.0287	0.1947	0.5867
Loa Loa (eye worm)	metalloprotease	0.0063	0.0272	0.0419
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0195	0.1261	0.1214
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0199	0.0307
Leishmania major	trypanothione reductase	0.0053	0.0199	0.0446
Brugia malayi	Thioredoxin reductase	0.0053	0.0199	0.0307
Loa Loa (eye worm)	matrixin family protein	0.0857	0.6205	0.9569
Brugia malayi	Matrixin family protein	0.0386	0.269	0.4148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0515	0.0464
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.0063	0.0272	0.045
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.0199	0.0599
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0193	0.1245	0.1198
Brugia malayi	angiogenesis inhibito	0.0142	0.0862	0.133
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0063	0.0272	0.045
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.012	0.0704	0.2122
Onchocerca volvulus	Papilin homolog	0.0146	0.0893	0.144
Giardia lamblia	Fructose-bisphosphate aldolase	0.0323	0.2217	0.5
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0063	0.0272	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0386	0.269	0.4148
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0793	0.1223
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0063	0.0272	0.0219
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0708	0.1091
Brugia malayi	Matrixin family protein	0.0386	0.269	0.4148
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0432	0.3034	0.6143
Loa Loa (eye worm)	matrixin family protein	0.0894	0.6485	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0195	0.1261	0.1214
Echinococcus granulosus	adam	0.0132	0.0793	0.0744
Loa Loa (eye worm)	hypothetical protein	0.0386	0.269	0.4148
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.1261	0.38
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0515	0.095
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0857	0.6205	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0328	0.2257	0.6801
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0132	0.0793	0.1524
Brugia malayi	Hemopexin family protein	0.0508	0.3599	0.555
Brugia malayi	glutathione reductase	0.0053	0.0199	0.0307
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0063	0.0272	0.045
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0515	0.0464
Echinococcus granulosus	microtubule associated protein 2	0.0683	0.4906	0.4878
Brugia malayi	Reprolysin	0.0063	0.0272	0.0419
Brugia malayi	Matrixin family protein	0.0894	0.6485	1
Echinococcus multilocularis	microtubule associated protein 2	0.0683	0.4906	0.4878
Onchocerca volvulus	Matrilysin homolog	0.0857	0.6205	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.1261	0.38
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0272	0.0419
Brugia malayi	metalloprotease	0.0063	0.0272	0.0419
Mycobacterium tuberculosis	Probable dehydrogenase	0.012	0.0704	0.2122
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0295	0.2008	0.4502
Loa Loa (eye worm)	matrix metalloproteinase	0.0386	0.269	0.4148
Loa Loa (eye worm)	hypothetical protein	0.047	0.3319	0.5118
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0199	0.5
Brugia malayi	Matrixin family protein	0.0386	0.269	0.4148
Leishmania major	mitochondrial DNA polymerase beta	0.0623	0.4461	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0199	0.0343
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.0805	0.2425
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.047	0.3319	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0708	0.1091
Loa Loa (eye worm)	glutaminase 2	0.0287	0.1947	0.3003
Echinococcus multilocularis	adam	0.0132	0.0793	0.0744
Loa Loa (eye worm)	hypothetical protein	0.0386	0.269	0.4148
Brugia malayi	ADAMTS-like protease	0.0142	0.0862	0.133
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0088	0.0459	0.0932
Trichomonas vaginalis	rotamase, putative	0.0033	0.0054	0.0027
Loa Loa (eye worm)	reprolysin	0.0063	0.0272	0.0419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0515	0.095
Trypanosoma brucei	trypanothione reductase	0.0053	0.0199	0.0343
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0623	0.4461	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0272	0.0419
Loa Loa (eye worm)	hypothetical protein	0.007	0.0326	0.0502
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0323	0.2217	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.012	0.0704	0.2122
Plasmodium falciparum	glutathione reductase	0.0053	0.0199	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0623	0.4461	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0088	0.0459	0.0932
Brugia malayi	hypothetical protein	0.0132	0.0793	0.1223
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.1261	0.38
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.0805	0.2425
Mycobacterium tuberculosis	Probable reductase	0.012	0.0704	0.2122
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0623	0.4461	1
Brugia malayi	MH2 domain containing protein	0.0121	0.0708	0.1091
Onchocerca volvulus		0.0386	0.269	0.4335
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.012	0.0704	0.2122
Schistosoma mansoni	hypothetical protein	0.0508	0.3599	0.7307
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0107	0.0602	0.1257
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0199	0.0146
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0386	0.269	0.5434
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0088	0.0459	0.0932
Schistosoma mansoni	glutaminase	0.0287	0.1947	0.3903
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0158	0.0983	0.2962
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0033	0.0054	0.0083
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0088	0.0459	0.0932
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0199	0.0307
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0515	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0893	0.1378
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0193	0.1245	0.2456
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0199	0.5
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0199	0.5
Mycobacterium ulcerans	hypothetical protein	0.0328	0.2257	0.6801
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.012	0.0704	0.2122
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0515	0.0464
Brugia malayi	Matrixin family protein	0.0386	0.269	0.4148
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0199	0.1246
Onchocerca volvulus		0.0508	0.3599	0.58
Loa Loa (eye worm)	angiogenesis inhibito	0.0072	0.0341	0.0526
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0295	0.2008	0.4442
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0158	0.0983	0.2962
Loa Loa (eye worm)	glutaminase	0.0287	0.1947	0.3003
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0033	0.0054	0.0083
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.2217	1
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0193	0.1245	0.1198
Brugia malayi	glutaminase DH11.1	0.0287	0.1947	0.3003
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.0805	0.2425
Onchocerca volvulus	Matrilysin homolog	0.0386	0.269	0.4335
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0515	0.095
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0199	0.0146
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0033	0.0048	0.0215
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0295	0.2008	0.4442
Toxoplasma gondii	hypothetical protein	0.0101	0.0555	0.4184
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.047	0.3319	1
Schistosoma mansoni	microtubule-associated protein tau	0.0683	0.4906	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.0515	0.0793
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.0805	0.2425
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.0515	0.0793
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.012	0.0704	0.2122
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0054	0.0027
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0158	0.0983	0.2962
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0323	0.2217	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	0 nM	In vitro ability to inhibit the binding of [3H]-spiperone to dopamine receptor D2 in rat striatal membranes.	ChEMBL.	1969484

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

PubChem: 14601419

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 16411