TDR Targets

Basic information

Technical information

TDR Targets ID: 1455899
Name: 2-cyclopentyl-N,2-di(phenyl)acetamide
MW: 279.376 | Formula: C19H21NO
H donors: 1 H acceptors: 1 LogP: 4.93 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccccc1)C1CCCC1)Nc1ccccc1
InChi: 1S/C19H21NO/c21-19(20-17-13-5-2-6-14-17)18(16-11-7-8-12-16)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,20,21)
InChiKey: QCDPHZJTCRGRKL-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-cyclopentyl-N,2-di(phenyl)ethanamide
2-Cyclopentyl-2,N-diphenyl-acetamide
MLS000591672
SMR000218713
STOCK3S-52248

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled	Starlite/ChEMBL	No references
Homo sapiens	sphingosine-1-phosphate receptor 3	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	dro:myosuppressin receptor	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled	365 aa	348 aa	22.1 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
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
Brugia malayi	N-terminal motif family protein	0.0366	0.2965	0.2965
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0047	0.0246	0.0456
Echinococcus multilocularis	isocitrate dehydrogenase	0.0047	0.0246	0.0456
Loa Loa (eye worm)	transcription factor SMAD2	0.0484	0.397	0.397
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0366	0.2965	0.2965
Echinococcus multilocularis	geminin	0.0205	0.1589	0.2952
Echinococcus multilocularis	tar DNA binding protein	0.065	0.5383	1
Loa Loa (eye worm)	TAR-binding protein	0.065	0.5383	0.5383
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0002
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0047	0.0246	0.5
Brugia malayi	hypothetical protein	0.0024	0.0055	0.0055
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0055	0.2246
Loa Loa (eye worm)	hypothetical protein	0.1192	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0047	0.0246	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0815	0.6787	0.6787
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1192	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0484	0.397	0.397
Schistosoma mansoni	hypothetical protein	0.0377	0.3059	0.4507
Brugia malayi	Smad1	0.0033	0.0127	0.0127
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1192	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0246	0.0456
Brugia malayi	MH2 domain containing protein	0.0033	0.0127	0.0127
Loa Loa (eye worm)	nuclear factor I	0.0018	0.0002	0.0002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0377	0.3059	0.5683
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0377	0.3059	0.5683
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0127	0.0127
Brugia malayi	MH2 domain containing protein	0.0484	0.397	0.397
Brugia malayi	isocitrate dehydrogenase	0.0047	0.0246	0.0246
Brugia malayi	MH1 domain containing protein	0.0018	0.0002	0.0002
Schistosoma mansoni	tar DNA-binding protein	0.065	0.5383	0.7931
Echinococcus granulosus	geminin	0.0205	0.1589	0.2952
Schistosoma mansoni	hypothetical protein	0.0205	0.1589	0.2341
Brugia malayi	TAR-binding protein	0.065	0.5383	0.5383
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0377	0.3059	0.3059
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0377	0.3059	0.5683
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0377	0.3059	0.5683
Schistosoma mansoni	tar DNA-binding protein	0.065	0.5383	0.7931
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0246	1
Brugia malayi	RNA binding protein	0.065	0.5383	0.5383
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0047	0.0246	0.0362
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0127	0.0188
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0127	0.0127
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0246	1
Brugia malayi	RNA recognition motif domain containing protein	0.065	0.5383	0.5383
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0047	0.0246	1
Schistosoma mansoni	tar DNA-binding protein	0.065	0.5383	0.7931
Brugia malayi	MH1 domain containing protein	0.0033	0.0127	0.0127
Echinococcus multilocularis	smad	0.0033	0.0127	0.0237
Echinococcus granulosus	GPCR family 2	0.0377	0.3059	0.5683
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0127	0.0237
Schistosoma mansoni	tar DNA-binding protein	0.065	0.5383	0.7931
Brugia malayi	Latrophilin receptor protein 2	0.0377	0.3059	0.3059
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0127	0.0237
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0246	1
Echinococcus multilocularis	Smad4	0.0033	0.0127	0.0237
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0246	1
Echinococcus granulosus	smad	0.0033	0.0127	0.0237
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0127	0.0188
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0366	0.2965	1
Brugia malayi	MH1 domain containing protein	0.0033	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0377	0.3059	0.4507
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0127	0.0237
Schistosoma mansoni	hypothetical protein	0.0377	0.3059	0.4507
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0127	0.0237
Echinococcus granulosus	Smad4	0.0033	0.0127	0.0237
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0246	1
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0127	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.065	0.5383	0.7931
Schistosoma mansoni	hypothetical protein	0.0815	0.6787	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.065	0.5383	0.5383
Loa Loa (eye worm)	hypothetical protein	0.0377	0.3059	0.3059
Echinococcus granulosus	tar DNA binding protein	0.065	0.5383	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0047	0.0246	0.0246
Schistosoma mansoni	Smad4	0.0033	0.0127	0.0188
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0377	0.3059	0.3059
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0246	0.0456
Loa Loa (eye worm)	RNA binding protein	0.065	0.5383	0.5383
Schistosoma mansoni	hypothetical protein	0.0377	0.3059	0.4507
Loa Loa (eye worm)	Smad1	0.0033	0.0127	0.0127
Brugia malayi	Isocitrate dehydrogenase	0.0047	0.0246	0.0246
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0047	0.0246	0.0456
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0047	0.0246	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0246	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0815	0.6787	0.6787
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0127	0.0188
Schistosoma mansoni	hypothetical protein	0.0205	0.1589	0.2341
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0047	0.0246	1
Echinococcus multilocularis	GPCR, family 2	0.0377	0.3059	0.5683
Brugia malayi	MH2 domain containing protein	0.0033	0.0127	0.0127
Schistosoma mansoni	smad	0.0033	0.0127	0.0188
Brugia malayi	MH1 domain containing protein	0.0018	0.0002	0.0002

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 6.604 um	PUBCHEM_BIOASSAY: Dose response cell-based high throughput screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3). (Class of assay: confirmatory) [Related pubchem assays: 1429, 485 ]	ChEMBL.	No reference
IC50 (functional)	= 12.07 um	PUBCHEM_BIOASSAY: Counterscreen assay for S1P3 antagonists: Dose response cell-based high throughput screening assay to identify antagonists of the 5-Hydroxytryptamine Receptor Subtype 1E (5HT1E). (Class of assay: confirmatory) [Related pubchem assays: 1429, 485 ]	ChEMBL.	No reference
Potency (functional)	0.9285 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)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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
Potency (functional)	100 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1404080

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1455899