TDR Targets

Basic information

Technical information

TDR Targets ID: 1537341
Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-yle thyl]-N-[(4-methylphenyl)methyl]furan-2-carbo xamide
MW: 417.5 | Formula: C25H27N3O3
H donors: 1 H acceptors: 3 LogP: 3.88 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CN(C(c1cccnc1)C(=O)NC1CCCC1)C(=O)c1ccco1
InChi: 1S/C25H27N3O3/c1-18-10-12-19(13-11-18)17-28(25(30)22-9-5-15-31-22)23(20-6-4-14-26-16-20)24(29)27-21-7-2-3-8-21/h4-6,9-16,21,23H,2-3,7-8,17H2,1H3,(H,27,29)
InChiKey: YYASWONDBZRPMN-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-[2-(cyclopentylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
N-[2-(cyclopentylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-[(4-methylphenyl)methyl]-2-furancarboxamide
N-[2-(cyclopentylamino)-2-keto-1-(3-pyridyl)ethyl]-N-(4-methylbenzyl)-2-furamide
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-yl-ethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
Oprea1_772497
ASN 05256205
MLS000688282
Oprea1_450355
SMR000283721

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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
Loa Loa (eye worm)	hypothetical protein	0.013	0.1786	0.1786
Brugia malayi	flavodoxin family protein	0.0225	0.3488	0.3488
Leishmania major	cytochrome P450 reductase, putative	0.0522	0.8801	0.8801
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0067	0.0654	0.0654
Toxoplasma gondii	NADH-cytochrome b5 reductase 1, putative	0.0067	0.0654	0.1394
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0522	0.8801	0.8508
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0067	0.0654	0.0431
Schistosoma mansoni	cytochrome B5	0.0067	0.0654	0.0431
Echinococcus granulosus	cytochrome b5 reductase 4	0.0067	0.0654	0.0431
Plasmodium falciparum	ferredoxin--NADP reductase	0.0067	0.0654	0.0654
Trypanosoma cruzi	p450 reductase, putative	0.0589	1	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Schistosoma mansoni	voltage-gated potassium channel	0.0164	0.2388	0.2206
Leishmania major	nitrate reductase, putative	0.0067	0.0654	0.0654
Schistosoma mansoni	voltage-gated potassium channel	0.0164	0.2388	0.2206
Toxoplasma gondii	flavodoxin domain-containing protein	0.0292	0.4687	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0589	1	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Plasmodium vivax	oxidoreductase NAD-binding domain containing protein	0.0067	0.0654	0.0654
Loa Loa (eye worm)	flavodoxin family protein	0.0225	0.3488	0.3488
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0067	0.0654	0.0431
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0225	0.3488	0.3488
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Leishmania major	oxidoreductase-like protein	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0589	1	1
Brugia malayi	FAD binding domain containing protein	0.0589	1	1
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0225	0.3488	0.3488
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0589	1	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma cruzi	p450 reductase, putative	0.0067	0.0654	0.0654
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0225	0.3488	0.3488
Toxoplasma gondii	ferredoxin NADP+ oxidoreductase FNR	0.0067	0.0654	0.1394
Mycobacterium tuberculosis	Possible oxygenase	0.0067	0.0654	0.5
Trypanosoma cruzi	reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	nitrate reductase, putative	0.0067	0.0654	0.0654
Treponema pallidum	flavodoxin	0.0225	0.3488	1
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0067	0.0654	0.0654
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0225	0.3488	0.1897
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0589	1	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Onchocerca volvulus		0.0067	0.0654	0.5
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0589	1	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0589	1	1
Entamoeba histolytica	type A flavoprotein, putative	0.0225	0.3488	0.5
Plasmodium falciparum	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Plasmodium vivax	hypothetical protein, conserved	0.0225	0.3488	0.3488
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0589	1	1
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0225	0.3488	0.1897
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.015	0.2141	0.2141
Trichomonas vaginalis	sulfite reductase, putative	0.0589	1	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0589	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.015	0.2141	0.1954
Brugia malayi	diaphorase	0.0067	0.0654	0.0654
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0067	0.0654	0.0654
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0067	0.0654	0.0654
Echinococcus granulosus	cytochrome b5 reductase 4	0.0067	0.0654	0.0431
Schistosoma mansoni	cytochrome P450 reductase	0.0589	1	1
Echinococcus granulosus	methionine synthase reductase	0.0364	0.5966	0.587
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0589	1	1
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0225	0.3488	0.3488
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0067	0.0654	0.0654
Leishmania major	reductase, putative	0.0067	0.0654	0.0654
Toxoplasma gondii	flavodoxin domain-containing protein	0.0292	0.4687	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0067	0.0654	0.0654
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0043	0.0233	0.0233
Schistosoma mansoni	diflavin oxidoreductase	0.0292	0.4687	0.4561
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.015	0.2141	0.1954
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Leishmania major	hypothetical protein, conserved	0.0225	0.3488	0.3488
Giardia lamblia	Nitric oxide synthase, inducible	0.0522	0.8801	1
Mycobacterium tuberculosis	Probable monooxygenase	0.0067	0.0654	0.5
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.015	0.2141	0.2141
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0067	0.0654	0.0654
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0067	0.0654	0.5
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0589	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0589	1	1
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0225	0.3488	0.3488
Leishmania major	p450 reductase, putative	0.0589	1	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0297	0.4767	0.4643
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0364	0.5966	0.587
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Entamoeba histolytica	type A flavoprotein, putative	0.0225	0.3488	0.5
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0067	0.0654	0.5
Leishmania major	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Echinococcus multilocularis	methionine synthase reductase	0.0364	0.5966	0.587
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0067	0.0654	0.0654
Plasmodium vivax	flavodoxin domain containing protein	0.0522	0.8801	0.8801
Leishmania major	cytochrome-b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	oxidoreductase-protein, putative	0.0067	0.0654	0.0654
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0589	1	1
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0067	0.0654	0.0431
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0589	1	1
Giardia lamblia	Hypothetical protein	0.0522	0.8801	1
Brugia malayi	FAD binding domain containing protein	0.0364	0.5966	0.5966
Loa Loa (eye worm)	hypothetical protein	0.0589	1	1
Plasmodium vivax	ferredoxin--NADP reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0589	1	1
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0225	0.3488	0.1897
Plasmodium falciparum	nitric oxide synthase, putative	0.0589	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0233	0.0233
Entamoeba histolytica	type A flavoprotein, putative	0.0225	0.3488	0.5
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Entamoeba histolytica	type A flavoprotein, putative	0.0225	0.3488	0.5
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0225	0.3488	0.3488
Leishmania major	cytochrome-b5 reductase, putative	0.0067	0.0654	0.0654
Loa Loa (eye worm)	diaphorase	0.0067	0.0654	0.0654
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0225	0.3488	0.1897
Entamoeba histolytica	type A flavoprotein, putative	0.0225	0.3488	0.5
Leishmania major	NADH-dependent fumarate reductase-like protein	0.0067	0.0654	0.0654
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0067	0.0654	0.0654
Mycobacterium tuberculosis	Probable oxidoreductase	0.0067	0.0654	0.5
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0067	0.0654	0.0431
Trypanosoma cruzi	nitrate reductase, putative	0.0067	0.0654	0.0654
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0589	1	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0364	0.5966	0.5966
Chlamydia trachomatis	sulfite reductase	0.0364	0.5966	1
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0067	0.0654	0.0654

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.1192 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.2753 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)	10.4179 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)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	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

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: CHEMBL1905818

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1537341