TDR Targets

Basic information

Technical information

TDR Targets ID: 1539595
Name: N-(3-fluorophenyl)-4-(furan-2-carbonylamino)p iperidine-1-carboxamide
MW: 331.342 | Formula: C17H18FN3O3
H donors: 2 H acceptors: 2 LogP: 2.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)c1ccco1
InChi: 1S/C17H18FN3O3/c18-12-3-1-4-14(11-12)20-17(23)21-8-6-13(7-9-21)19-16(22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2,(H,19,22)(H,20,23)
InChiKey: WPUUAHMJGOGZMG-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-(3-fluorophenyl)-4-[(2-furyl-oxomethyl)amino]-1-piperidinecarboxamide
N-(3-fluorophenyl)-4-(furan-2-ylcarbonylamino)piperidine-1-carboxamide
ZINC04888474
ASN 06235566

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
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)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	dishevelled	0.0018	0.0146	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0146	0.0146
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0149	0.0172
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1193	0.1374
Brugia malayi	MH2 domain containing protein	0.0267	0.7163	0.7163
Echinococcus multilocularis	tar DNA binding protein	0.0321	0.8678	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0146	0.0169
Brugia malayi	isocitrate dehydrogenase	0.0032	0.055	0.055
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0997	0.0997
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.055	0.055
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.055	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0032	0.055	1
Schistosoma mansoni	dishevelled	0.0018	0.0146	0.0169
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1193	0.1374
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.8678	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.055	1
Brugia malayi	MH2 domain containing protein	0.0018	0.0149	0.0149
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0146	0.0146
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0997	0.1149
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0013	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0267	0.7163	0.7163
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0997	0.1149
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0149	0.0172
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.055	0.0634
Brugia malayi	hypothetical protein	0.0027	0.04	0.04
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1193	0.1374
Schistosoma mansoni	hypothetical protein	0.0048	0.0997	0.1149
Brugia malayi	RNA binding protein	0.0321	0.8678	0.8678
Echinococcus granulosus	tar DNA binding protein	0.0321	0.8678	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.055	0.055
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0146	0.0169
Brugia malayi	MH2 domain containing protein	0.0018	0.0149	0.0149
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0368	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0153	0.3938	0.3938
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Echinococcus granulosus	GPCR family 2	0.0048	0.0997	0.1149
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0032	0.055	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.055	1
Loa Loa (eye worm)	Smad1	0.0018	0.0149	0.0149
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0146	0.0146
Loa Loa (eye worm)	TAR-binding protein	0.0321	0.8678	0.8678
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.055	0.0634
Entamoeba histolytica	hypothetical protein	0.0013	0	0.5
Schistosoma mansoni	smad	0.0018	0.0149	0.0172
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0032	0.055	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1193	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3938	0.3938
Loa Loa (eye worm)	RNA binding protein	0.0321	0.8678	0.8678
Echinococcus granulosus	smad	0.0018	0.0149	0.0172
Brugia malayi	RNA recognition motif domain containing protein	0.0321	0.8678	0.8678
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2577	0.2577
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.2577	0.2577
Echinococcus granulosus	Smad4	0.0018	0.0149	0.0172
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.055	0.0634
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0032	0.055	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.055	0.0634
Onchocerca volvulus		0.0018	0.0146	0.0146
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0997	0.1149
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0997	0.0997
Loa Loa (eye worm)	transcription factor SMAD2	0.0267	0.7163	0.7163
Brugia malayi	MH1 domain containing protein	0.0018	0.0149	0.0149
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0146	0.0169
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0146	0.0169
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0153	0.3938	0.3938
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0146	0.0169
Schistosoma mansoni	hypothetical protein	0.0104	0.2577	0.2969
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Brugia malayi	Smad1	0.0018	0.0149	0.0149
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0149	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0146	0.0146
Brugia malayi	hypothetical protein	0.0018	0.013	0.013
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.055	1
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.8678	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.04	0.04
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.8678	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0146	0.0146
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0146	0.0169
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0146	0.0169
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1193	0.1374
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0149	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.8678	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1193	0.1374
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0146	0.0169
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.8678	1
Loa Loa (eye worm)	hypothetical protein	0.0368	1	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0146	0.0169
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1193	0.1374
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0997	0.0997
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0018	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0997	0.1149
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0149	0.0172
Brugia malayi	DIX domain containing protein	0.0018	0.0146	0.0146
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0149	0.0172
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0149	0.0172
Brugia malayi	hypothetical protein	0.0018	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0997	0.0997
Brugia malayi	hypothetical protein	0.0018	0.0146	0.0146
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0146	0.0146
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0013	0	0.5
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0146	0.0169
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.055	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0032	0.055	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0149	0.0149
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0149	0.0172
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0146	0.0169
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.04	0.728
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0321	0.8678	0.8678
Echinococcus multilocularis	smad	0.0018	0.0149	0.0172
Schistosoma mansoni	dep domain containing protein	0.0018	0.0146	0.0169
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.055	0.0634
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0146	0.0146
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0146	0.0146
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1193	0.1193
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0997	0.1149
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.04	0.728
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0013	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0997	0.1149
Brugia malayi	MH1 domain containing protein	0.0018	0.0149	0.0149
Brugia malayi	TAR-binding protein	0.0321	0.8678	0.8678
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0013	0	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.04	0.6293
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0997	0.1149
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.055	0.0634
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1193	0.1193
Schistosoma mansoni	Smad4	0.0018	0.0149	0.0172
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0146	0.0169
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0153	0.3938	0.3938
Echinococcus multilocularis	Smad4	0.0018	0.0149	0.0172
Schistosoma mansoni	hypothetical protein	0.0048	0.0997	0.1149
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0146	0.0169
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.055	0.0634
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0149	0.0172

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 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)	141.2538 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1902854

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 1539595