TDR Targets

Basic information

Technical information

TDR Targets ID: 1835541
Name: N-[[4-(acetamidomethyl)cyclohexyl]methyl]acet amide
MW: 226.315 | Formula: C12H22N2O2
H donors: 2 H acceptors: 2 LogP: 0.57 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NCC1CCC(CC1)CNC(=O)C
InChi: 1S/C12H22N2O2/c1-9(15)13-7-11-3-5-12(6-4-11)8-14-10(2)16/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChiKey: GUHHUMFYAACNTR-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-[[4-(acetamidomethyl)cyclohexyl]methyl]ethanamide
70924-83-3
NSC172319
Acetamide, N,N'-[1,4-cyclohexanediylbis(methylene)]bis-, cis-
cis-1,4-Bis(acetamidomethyl)cyclohexane

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
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0329	0.4058	0.3167
Trypanosoma cruzi	polo-like protein kinase, putative	0.0185	0.157	0.3457
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Loa Loa (eye worm)	hypothetical protein	0.0329	0.4058	1
Onchocerca volvulus	Cathepsin F homolog	0.0329	0.4058	1
Plasmodium vivax	unspecified product	0.0169	0.1304	0.2757
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Brugia malayi	Cathepsin L-like precursor	0.022	0.218	0.5061
Brugia malayi	Cathepsin L-like precursor	0.022	0.218	0.5061
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0329	0.4058	0.3167
Schistosoma mansoni	cathepsin s	0.0109	0.0255	0.0255
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0329	0.4058	0.3167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0329	0.4058	0.4058
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0185	0.157	0.3457
Onchocerca volvulus		0.0329	0.4058	1
Toxoplasma gondii	cathepsin CPL	0.0329	0.4058	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0329	0.4058	0.3167
Trypanosoma cruzi	cysteine proteinase, putative	0.0169	0.1304	0.2757
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0185	0.157	0.0967
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Onchocerca volvulus		0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0329	0.4058	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Trypanosoma brucei	polo-like protein kinase	0.0185	0.157	0.0967
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Echinococcus multilocularis	cysteine protease	0.0329	0.4058	0.3167
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0329	0.4058	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0329	0.4058	1
Brugia malayi	Papain family cysteine protease containing protein	0.0169	0.1304	0.2757
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Schistosoma mansoni	serine/threonine protein kinase	0.0185	0.157	0.157
Brugia malayi	cathepsin L-like precursor	0.022	0.218	0.5061
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Echinococcus granulosus	cathepsin l1	0.022	0.218	0.1008
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Loa Loa (eye worm)	ctsf protein	0.0329	0.4058	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.022	0.218	0.5061
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0169	0.1304	0.2757
Schistosoma mansoni	cathepsin F (C01 family)	0.022	0.218	0.218
Onchocerca volvulus	Cathepsin L homolog	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Loa Loa (eye worm)	cysteine protease	0.0329	0.4058	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Onchocerca volvulus		0.0329	0.4058	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Onchocerca volvulus		0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Plasmodium vivax	vivapain-1	0.0169	0.1304	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.022	0.218	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Entamoeba histolytica	cysteine proteinase, putative	0.0329	0.4058	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Entamoeba histolytica	cysteine proteinase, putative	0.022	0.218	0.3182
Trypanosoma cruzi	cysteine protease, putative	0.0169	0.1304	0.2757
Entamoeba histolytica	cysteine protease, putative	0.0329	0.4058	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.022	0.218	0.5061
Plasmodium vivax	vivapain-2	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.022	0.218	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0329	0.4058	1
Echinococcus multilocularis	cysteine protease	0.0329	0.4058	0.3167
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Onchocerca volvulus	Cathepsin L homolog	0.0329	0.4058	1
Brugia malayi	Papain family cysteine protease containing protein	0.0329	0.4058	1
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.1304	0.1304
Leishmania major	cysteine peptidase A (CPA)	0.0329	0.4058	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.1304	0.1304
Entamoeba histolytica	cysteine proteinase, putative	0.0329	0.4058	1
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Loa Loa (eye worm)	hypothetical protein	0.022	0.218	0.5061
Schistosoma mansoni	cathepsin F (C01 family)	0.0329	0.4058	0.4058
Brugia malayi	Papain family cysteine protease containing protein	0.0169	0.1304	0.2757
Plasmodium vivax	vivapain-3	0.0169	0.1304	0.2757
Loa Loa (eye worm)	hypothetical protein	0.022	0.218	0.5061
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0185	0.157	0.3457
Onchocerca volvulus		0.0329	0.4058	1
Onchocerca volvulus		0.0329	0.4058	1
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0169	0.1304	0.2757
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.218	0.5061
Echinococcus multilocularis	cathepsin L cysteine protease	0.0329	0.4058	0.3167
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Giardia lamblia	Kinase, PLK	0.0185	0.157	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0329	0.4058	1
Loa Loa (eye worm)	fibroinase	0.0329	0.4058	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Trichomonas vaginalis	CAMK family protein kinase	0.0185	0.157	0.0967
Onchocerca volvulus		0.0329	0.4058	1
Onchocerca volvulus		0.022	0.218	0.2452
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.4058	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0185	0.157	0.0306
Leishmania major	cathepsin L-like protease	0.0329	0.4058	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0169	0.1304	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0329	0.4058	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0329	0.4058	1
Echinococcus granulosus	cathepsin l1	0.0329	0.4058	0.3167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1
Brugia malayi	Cathepsin L-like precursor	0.0329	0.4058	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0329	0.4058	0.3167
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0169	0.1304	0.1304
Plasmodium vivax	vivapain-2	0.0329	0.4058	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0185	0.157	0.0306
Trypanosoma cruzi	polo-like protein kinase, putative	0.0185	0.157	0.3457
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0329	0.4058	1

Activities

Activity type	Activity value	Assay description	Source	Reference
FC (binding)	= 2.14	Induction of HEXIM1 protein expression in human LNCAP cells at 500 uM after 24 hrs by Western blotting analysis relative to control	ChEMBL.	24503105

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: CHEMBL3120733

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1835541