TDR Targets

Basic information

Technical information

TDR Targets ID: 873632
Name: methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)p iperidine-1-carbonyl]amino]benzoate
MW: 395.88 | Formula: C19H26ClN3O4
H donors: 1 H acceptors: 2 LogP: 2.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1NC(=O)N1CCC(CC1)CN1CCOCC1)Cl
InChi: 1S/C19H26ClN3O4/c1-26-18(24)16-3-2-15(20)12-17(16)21-19(25)23-6-4-14(5-7-23)13-22-8-10-27-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H,21,25)
InChiKey: BMUMQPJWKJHHHJ-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

methyl 4-chloro-2-[[4-(morpholinomethyl)piperidine-1-carbonyl]amino]benzoate
4-chloro-2-[[[4-(morpholinomethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester
4-chloro-2-[[4-(morpholinomethyl)piperidine-1-carbonyl]amino]benzoic acid methyl ester
methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]carbonylamino]benzoate

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
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0264	0.0595	0.1975
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0328	0.0764	1
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.1079	0.2747	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.0223	0.2926
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0448	0.1081	0.3934
Schistosoma mansoni	amidase	0.0209	0.0448	0.0448
Echinococcus granulosus	H:Cl exchange transporter 4	0.0064	0.0065	0.0236
Loa Loa (eye worm)	carboxylesterase	0.0149	0.0289	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0595	0.2164
Entamoeba histolytica	glycogen phosphorylase, putative	0.0328	0.0764	1
Mycobacterium tuberculosis	Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450)	0.0064	0.0065	0.0236
Echinococcus granulosus	5' AMP activated protein kinase subunit gamma	0.0064	0.0065	0.0236
Loa Loa (eye worm)	loechrig isoform VII	0.0064	0.0065	0.0236
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0064	0.0065	0.0236
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0264	0.0595	0.2164
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.1079	0.2747	1
Echinococcus multilocularis	protein dispatched 1	0.0109	0.0183	0.0667
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0209	0.0448	0.163
Loa Loa (eye worm)	chloride channel protein 7	0.0064	0.0065	0.0236
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0183	0.24
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0149	0.0289	0.0289
Echinococcus granulosus	Niemann Pick C1 protein	0.0109	0.0183	0.0667
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0328	0.0764	0.7068
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0289	0.1052
Echinococcus multilocularis	Niemann Pick C1 protein	0.0109	0.0183	0.0667
Echinococcus granulosus	Glycosyl transferase family 35	0.0328	0.0764	0.278
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0264	0.0595	0.1975
Entamoeba histolytica	glycogen phosphorylase, putative	0.0328	0.0764	1
Brugia malayi	CHE-14 protein	0.0109	0.0183	0.0667
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0448	0.1081	0.3934
Echinococcus granulosus	H:Cl exchange transporter 7	0.0064	0.0065	0.0236
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0174	0.0355	0.1294
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0512	0.125	0.4418
Brugia malayi	GMP reductase	0.0448	0.1081	0.3934
Echinococcus granulosus	Protein patched homolog 1	0.0109	0.0183	0.0667
Echinococcus multilocularis	carboxylesterase 5A	0.0149	0.0289	0.1052
Schistosoma mansoni	chloride channel protein	0.0064	0.0065	0.0065
Mycobacterium tuberculosis	Conserved protein	0.0064	0.0065	0.0236
Echinococcus granulosus	acetylcholinesterase	0.0149	0.0289	0.1052
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0264	0.0595	0.1975
Echinococcus multilocularis	5' AMP activated protein kinase subunit gamma	0.0064	0.0065	0.0236
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0124	0.0223	0.2269
Loa Loa (eye worm)	GMP reductase	0.0448	0.1081	0.3934
Schistosoma mansoni	glycogen phosphorylase	0.0328	0.0764	0.0764
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0109	0.0183	0.0667
Echinococcus multilocularis	glycogen phosphorylase	0.0328	0.0764	0.278
Loa Loa (eye worm)	hypothetical protein	0.0209	0.0448	0.163
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0236
Brugia malayi	CBS domain containing protein	0.0064	0.0065	0.0236
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.0223	0.2926
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0236
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.1079	0.2747	1
Mycobacterium tuberculosis	Probable conserved transmembrane alanine and leucine rich protein	0.0064	0.0065	0.0236
Treponema pallidum	Mg2+ transport protein (mgtE)	0.0064	0.0065	0.5
Loa Loa (eye worm)	IMP dehydrogenase 1	0.1079	0.2747	1
Echinococcus granulosus	AMP activated protein kinase gamma regulatory	0.0064	0.0065	0.0236
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.1079	0.2747	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0328	0.0764	0.278
Treponema pallidum	hemolysin (tlyC)	0.0064	0.0065	0.5
Echinococcus multilocularis	sterol regulatory element binding protein	0.0109	0.0183	0.0667
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0512	0.125	0.4418
Echinococcus granulosus	glycogen phosphorylase	0.0328	0.0764	0.278
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0064	0.0065	0.0065
Echinococcus granulosus	H:Cl exchange transporter 3	0.0064	0.0065	0.0236
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.1014	0.2578	0.9369
Echinococcus multilocularis	H(+):Cl() exchange transporter 4	0.0064	0.0065	0.0236
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.1079	0.2747	0.2747
Brugia malayi	ancient conserved domain protein 4	0.0064	0.0065	0.0236
Loa Loa (eye worm)	acetylcholinesterase 1	0.0149	0.0289	0.1052
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.1079	0.2747	1
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0064	0.0065	0.0065
Schistosoma mansoni	glycogen phosphorylase	0.0142	0.0271	0.0271
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0566	0.1393	0.507
Leishmania major	guanosine monophosphate reductase	0.1079	0.2747	1
Schistosoma mansoni	glycogen phosphorylase	0.0328	0.0764	0.0764
Echinococcus granulosus	glycogen phosphorylase	0.0328	0.0764	0.278
Brugia malayi	CLC chloride channel protein	0.0064	0.0065	0.0236
Toxoplasma gondii	IMP dehydrogenas	0.1079	0.2747	1
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0142	0.0271	0.0768
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0142	0.0271	0.0986
Echinococcus multilocularis	glycogen phosphorylase	0.0328	0.0764	0.278
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0209	0.0448	0.163
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0183	0.0667
Brugia malayi	amidase	0.0209	0.0448	0.163
Mycobacterium tuberculosis	Conserved protein	0.0064	0.0065	0.0236
Leishmania major	inosine-5-monophosphate dehydrogenase	0.1079	0.2747	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.0223	0.2926
Schistosoma mansoni	protein kinase subunit gamma	0.0064	0.0065	0.0065
Mycobacterium tuberculosis	Conserved protein	0.0064	0.0065	0.0236
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0566	0.1393	0.4951
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0328	0.0764	1
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0264	0.0595	0.2164
Mycobacterium tuberculosis	Hypoxic response protein 1 Hrp1	0.0064	0.0065	0.0236
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0695	0.1733	0.1733
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.1079	0.2747	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0209	0.0448	0.163
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0236
Mycobacterium ulcerans	carboxylesterase, LipT	0.0174	0.0355	0.1083
Schistosoma mansoni	chloride channel protein	0.0064	0.0065	0.0065
Echinococcus multilocularis	SNF4:AMP activated protein kinase gamma subunit	0.0064	0.0065	0.0236
Echinococcus multilocularis	H(+):Cl() exchange transporter 3	0.0064	0.0065	0.0236
Brugia malayi	chloride channel protein 7	0.0064	0.0065	0.0236
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.1079	0.2747	1
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0064	0.0065	0.0236
Echinococcus multilocularis	acetylcholinesterase	0.0149	0.0289	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0289	0.1052
Loa Loa (eye worm)	chloride channel 3	0.0064	0.0065	0.0236
Loa Loa (eye worm)	glycogen phosphorylase	0.0328	0.0764	0.278
Echinococcus granulosus	SNF4:AMP activated protein kinase gamma subunit	0.0064	0.0065	0.0236
Echinococcus multilocularis	protein patched	0.0109	0.0183	0.0667
Trypanosoma brucei	GMP reductase	0.1079	0.2747	1
Echinococcus multilocularis	acetylcholinesterase	0.0149	0.0289	0.1052
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.1014	0.2578	0.5
Onchocerca volvulus	Putative GMP reductase	0.0448	0.1081	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.0183	0.0183
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0264	0.0595	0.1975
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.1079	0.2747	1
Brugia malayi	Carboxylesterase family protein	0.0149	0.0289	0.1052
Echinococcus multilocularis	H(+):Cl() exchange transporter 7	0.0064	0.0065	0.0236
Brugia malayi	Voltage gated chloride channel family protein	0.0064	0.0065	0.0236
Onchocerca volvulus		0.0064	0.0065	0.06
Echinococcus granulosus	acetylcholinesterase	0.0149	0.0289	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0236
Schistosoma mansoni	fatty-acid amide hydrolase	0.0209	0.0448	0.0448
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.1079	0.2747	1
Giardia lamblia	Glycogen phosphorylase	0.0328	0.0764	1
Brugia malayi	loechrig isoform VII	0.0064	0.0065	0.0236
Echinococcus granulosus	carboxylesterase 5A	0.0149	0.0289	0.1052
Brugia malayi	Carboxylesterase family protein	0.0149	0.0289	0.1052
Brugia malayi	carbohydrate phosphorylase	0.0328	0.0764	0.278
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0264	0.0595	0.2164
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.1079	0.2747	1
Schistosoma mansoni	patched 1	0.0109	0.0183	0.0183
Trypanosoma cruzi	GMP reductase	0.1079	0.2747	1
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0064	0.0065	0.0065
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0264	0.0595	0.1975
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.1079	0.2747	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0109	0.0183	0.0667
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0064	0.0065	0.0236
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0209	0.0448	0.163
Schistosoma mansoni	chloride channel protein	0.0064	0.0065	0.0065
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.1014	0.2578	1
Chlamydia trachomatis	glycogen phosphorylase	0.0328	0.0764	1
Brugia malayi	ancient conserved domain protein 2	0.0064	0.0065	0.0236
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0264	0.0595	0.0595
Trypanosoma cruzi	GMP reductase	0.1079	0.2747	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 873632