TDR Targets

Basic information

Technical information

TDR Targets ID: 1531499
Name: N-cyclohexyl-N'-(3-methylphenyl)piperidine-1, 4-dicarboxamide
MW: 343.463 | Formula: C20H29N3O2
H donors: 2 H acceptors: 2 LogP: 3.06 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)NC1CCCCC1
InChi: 1S/C20H29N3O2/c1-15-6-5-9-18(14-15)21-19(24)16-10-12-23(13-11-16)20(25)22-17-7-3-2-4-8-17/h5-6,9,14,16-17H,2-4,7-8,10-13H2,1H3,(H,21,24)(H,22,25)
InChiKey: KJNMHTFTZDGLII-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

ASN 05991152
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-m-tolylamide
ZINC04861424

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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0115	0.1057	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Brugia malayi	hypothetical protein	0.0231	0.2586	0.3023
Echinococcus multilocularis	para nitrobenzyl esterase	0.0115	0.1057	0.1057
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0681	0.8552	0.8552
Onchocerca volvulus		0.0115	0.1057	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.1636	0.1913
Brugia malayi	Carboxylesterase family protein	0.0115	0.1057	0.1236
Onchocerca volvulus		0.0115	0.1057	1
Schistosoma mansoni	acetylcholinesterase	0.0115	0.1057	0.1236
Brugia malayi	Carboxylesterase family protein	0.0681	0.8552	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0115	0.1057	1
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1343	0.1571
Onchocerca volvulus		0.0072	0.0485	0.365
Echinococcus granulosus	acetylcholinesterase	0.0681	0.8552	1
Loa Loa (eye worm)	hypothetical protein	0.0681	0.8552	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0485	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Mycobacterium ulcerans	carboxylesterase, LipT	0.0115	0.1057	1
Trichomonas vaginalis	esterase, putative	0.0072	0.0485	0.4587
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Echinococcus multilocularis	acetylcholinesterase	0.0681	0.8552	0.8552
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.1636	0.1913
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0485	0.0567
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0485	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0115	0.1057	0.1236
Loa Loa (eye worm)	carboxylesterase	0.0115	0.1057	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0115	0.1057	0.1116
Echinococcus granulosus	BC026374 protein S09 family	0.0115	0.1057	0.1236
Loa Loa (eye worm)	carboxylesterase	0.0115	0.1057	0.1236
Onchocerca volvulus		0.0072	0.0485	0.365
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0156	0.0182
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0156	0.0182
Brugia malayi	Carboxylesterase family protein	0.0115	0.1057	0.1236
Onchocerca volvulus		0.0115	0.1057	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0485	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0681	0.8552	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0485	1
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.2586	0.3023
Brugia malayi	beta-lactamase family protein	0.0072	0.0485	0.0567
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0	0.5
Echinococcus granulosus	geminin	0.0165	0.1721	0.2012
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0485	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Schistosoma mansoni	hypothetical protein	0.0047	0.0156	0.0182
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0115	0.1057	0.1236
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0485	0.4587
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1636	0.1636
Schistosoma mansoni	hypothetical protein	0.0165	0.1721	0.2012
Toxoplasma gondii	ABC1 family protein	0.0072	0.0485	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0485	0.4587
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.2586	0.2586
Schistosoma mansoni	BC026374 protein (S09 family)	0.0115	0.1057	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Brugia malayi	beta-lactamase family protein	0.0072	0.0485	0.0567
Loa Loa (eye worm)	acetylcholinesterase 1	0.0681	0.8552	1
Schistosoma mansoni	gliotactin	0.0115	0.1057	0.1236
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0485	0.4587
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0115	0.1057	0.1116
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.1636	0.1913
Brugia malayi	Carboxylesterase family protein	0.0681	0.8552	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1636	0.1636
Echinococcus multilocularis	geminin	0.0165	0.1721	0.1721
Echinococcus granulosus	carboxylesterase 5A	0.0681	0.8552	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0485	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0485	0.4587
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2586	0.3023
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0115	0.1057	0.1057
Loa Loa (eye worm)	carboxylesterase	0.0681	0.8552	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0485	0.4587
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0115	0.1057	0.1116
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0115	0.1057	0.1057
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0485	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1057	0.1236
Echinococcus granulosus	acetylcholinesterase	0.0681	0.8552	1
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1343	0.1571
Onchocerca volvulus		0.0115	0.1057	1
Onchocerca volvulus		0.0115	0.1057	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0485	0.0567
Echinococcus granulosus	para nitrobenzyl esterase	0.0115	0.1057	0.1236
Echinococcus granulosus	neuroligin	0.0115	0.1057	0.1236
Echinococcus multilocularis	neuroligin	0.0115	0.1057	0.1057
Onchocerca volvulus		0.0072	0.0485	0.365
Brugia malayi	beta-lactamase	0.0072	0.0485	0.0567
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0485	0.0567
Brugia malayi	Carboxylesterase family protein	0.0115	0.1057	0.1236
Schistosoma mansoni	hypothetical protein	0.0165	0.1721	0.2012
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0681	0.8552	1
Echinococcus multilocularis	carboxylesterase 5A	0.0681	0.8552	0.8552
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0115	0.1057	0.1236
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0485	0.5
Brugia malayi	hypothetical protein	0.0115	0.1057	0.1236
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0485	0.0485
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0115	0.1057	0.1236
Leishmania major	hypothetical protein, conserved	0.0072	0.0485	1
Brugia malayi	Carboxylesterase family protein	0.0115	0.1057	0.1236
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0485	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0115	0.1057	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0485	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0459	0.5612	1
Onchocerca volvulus		0.0092	0.075	0.6588

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1721940

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1531499