TDR Targets

Basic information

Technical information

TDR Targets ID: 799654
Name: 2-(4-chlorophenyl)-N-cyclohexyl-2-dimethylami noacetamide
MW: 294.82 | Formula: C16H23ClN2O
H donors: 1 H acceptors: 1 LogP: 3.74 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(c1ccc(cc1)Cl)C(=O)NC1CCCCC1)C
InChi: 1S/C16H23ClN2O/c1-19(2)15(12-8-10-13(17)11-9-12)16(20)18-14-6-4-3-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,18,20)
InChiKey: ZENAHZVLTRBGLM-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

2-(4-chlorophenyl)-N-cyclohexyl-2-dimethylamino-acetamide
2-(4-chlorophenyl)-N-cyclohexyl-2-dimethylamino-ethanamide
EU-0054732
2-(4-chlorophenyl)-N-cyclohexyl-2-(dimethylamino)acetamide
MLS000044162
SMR000021946

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0019	0.0236	0.061
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1695	0.5
Echinococcus multilocularis	muscleblind protein	0.0294	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1021	0.1021
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1522	0.3939
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1695	0.4388
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1695	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1522	0.3939
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0394	0.102
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0394	0.0394
Schistosoma mansoni	thyroid hormone receptor	0.0024	0.0394	0.102
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Brugia malayi	ecdysteroid receptor	0.0024	0.0394	0.0394
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0394	0.0394
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1522	0.1522
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0236	0.0236
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0394	0.0394
Schistosoma mansoni	hypothetical protein	0.0019	0.0236	0.061
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1695	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0394	0.102
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1698	0.1698
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1698	0.1698
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0394	0.0394
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0394	0.0394
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0394	0.0394
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0394	0.102
Loa Loa (eye worm)	hypothetical protein	0.0294	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0121	0.3863	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0394	0.0394
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0394	0.0394
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1522	0.1522
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1695	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1522	0.3939
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1698	0.1698
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0394	0.0394
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1695	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0288	0.9806	0.9806
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0394	0.0394
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1695	0.1695
Echinococcus granulosus	muscleblind protein	0.0294	1	1
Onchocerca volvulus		0.0024	0.0394	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Brugia malayi	nuclear hormone receptor	0.0024	0.0394	0.0394
Brugia malayi	follicle stimulating hormone receptor	0.0288	0.9806	0.9806
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0394	0.0394
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0394	0.0394
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0394	0.102
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0394	0.102
Brugia malayi	steroid hormone receptor	0.0024	0.0394	0.0394
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0394	0.0394
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0394	0.0394
Schistosoma mansoni	hypothetical protein	0.0019	0.0236	0.061
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0394	0.0394
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1695	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.1698	0.1698
Schistosoma mansoni	coup transcription factor	0.0024	0.0394	0.102
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1522	0.1522
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0394	0.102
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1522	0.1522
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0236	0.0236
Schistosoma mansoni	hypothetical protein	0.0019	0.0236	0.061
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0394	0.0394
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1695	0.1695
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0394	0.0394
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0236	0.0236
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0394	0.102
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0024	0.0394	0.0394
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0236	0.0236
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0394	0.0394
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0394	0.0394
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0236	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1021	0.1021
Echinococcus granulosus	GPCR family 2	0.0019	0.0236	0.0236
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0394	0.0394
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0394	0.102
Loa Loa (eye worm)	hypothetical protein	0.0294	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0236	0.0236
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0394	0.0394
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0024	0.0394	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1695	0.4388
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0394	0.0394
Schistosoma mansoni	thyroid hormone receptor	0.0024	0.0394	0.102
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0394	0.0394
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0394	0.0394
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0394	0.0394
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1522	0.1522
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0394	0.0394
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0394	0.0394
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0236	0.0236
Schistosoma mansoni	hypothetical protein	0.0041	0.1021	0.2643
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0394	0.102
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0109	0.3422	0.3422
Echinococcus multilocularis	muscleblind protein 1	0.0294	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0024	0.0394	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1522	0.1522
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0394	0.0394
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0121	0.3863	0.3863
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0236	0.0236
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0236	0.0236
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0394	0.0394
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0394	0.0394
Onchocerca volvulus	Bile acid receptor homolog	0.0024	0.0394	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0394	0.0394

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1370540
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 799654