TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.446 | Formula: C24H21FN4O4
H donors: 1 H acceptors: 5 LogP: 3.16 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FCOc1ccccc1c1cnc(nc1)NC(=O)[C@@H]1CC[C@]2(CC1)OC(=O)c1c2cccn1
InChi: 1S/C24H21FN4O4/c25-14-32-19-6-2-1-4-17(19)16-12-27-23(28-13-16)29-21(30)15-7-9-24(10-8-15)18-5-3-11-26-20(18)22(31)33-24/h1-6,11-13,15H,7-10,14H2,(H,27,28,29,30)/t15-,24-
InChiKey: WZBFDRUPLBYZSJ-AOVWKMQPSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	neuropeptide Y receptor Y5	Starlite/ChEMBL	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	0.0021	0.0217	0.0217
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.2815	0.4975
Loa Loa (eye worm)	hypothetical protein	0.0073	0.617	0.617
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0043	0.2815	0.2656
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.3294	0.5892
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0495	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0495	0.0495
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0353	0.0353
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.1732	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0495	0.0495
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0023	0.0495	0.0533
Brugia malayi	Isocitrate dehydrogenase	0.0034	0.1732	0.1549
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0043	0.2815	0.4975
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.1726	0.289
Echinococcus multilocularis	isocitrate dehydrogenase	0.0034	0.1732	0.2902
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0043	0.2815	0.4975
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.3294	0.5892
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1726	0.1726
Brugia malayi	hypothetical protein	0.0023	0.0495	0.0284
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0043	0.2815	0.4364
Schistosoma mansoni	lamin	0.003	0.1262	0.1756
Loa Loa (eye worm)	hypothetical protein	0.0029	0.12	0.12
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.2386	0.4155
Brugia malayi	Bromodomain containing protein	0.004	0.2457	0.229
Loa Loa (eye worm)	hypothetical protein	0.0107	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5439	0.8772
Schistosoma mansoni	thyroid hormone receptor	0.0043	0.2815	0.4364
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.3294	0.5168
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.2815	0.2656
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0043	0.2815	0.4975
Schistosoma mansoni	hypothetical protein	0.0034	0.1726	0.2535
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0043	0.2815	0.4975
Brugia malayi	steroid hormone receptor	0.0043	0.2815	0.2656
Entamoeba histolytica	hypothetical protein	0.004	0.2386	0.5
Entamoeba histolytica	hypothetical protein	0.004	0.2386	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.2465	0.2465
Echinococcus multilocularis	ecdysone induced protein 78C	0.0043	0.2815	0.4975
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0.1732	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.3294	0.5168
Brugia malayi	PHD-finger family protein	0.0026	0.0863	0.066
Echinococcus granulosus	lamin dm0	0.003	0.1262	0.2002
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.1726	0.1543
Echinococcus granulosus	ecdysone induced protein 78C	0.0043	0.2815	0.4975
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0043	0.2815	0.4975
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0034	0.1732	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.1732	0.2902
Brugia malayi	hypothetical protein	0.004	0.2386	0.2218
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.2815	0.4975
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0021	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Echinococcus multilocularis	GPCR, family 2	0.0034	0.1726	0.289
Schistosoma mansoni	hypothetical protein	0.0034	0.1726	0.2535
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0043	0.2815	0.4975
Schistosoma mansoni	RAR-like nuclear receptor	0.0043	0.2815	0.4364
Schistosoma mansoni	nuclear hormone receptor	0.0043	0.2815	0.4364
Brugia malayi	photoreceptor-specific nuclear receptor	0.0043	0.2815	0.2656
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0043	0.2815	0.2815
Brugia malayi	TAR-binding protein	0.0067	0.5439	0.5338
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0043	0.2815	0.4364
Echinococcus multilocularis	zinc finger protein	0.0021	0.0227	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.2386	0.3644
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.2815	0.4364
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0043	0.2815	0.2815
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.2815	0.2656
Loa Loa (eye worm)	nuclear hormone receptor	0.0021	0.0217	0.0217
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0581	0.0697
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.1732	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0043	0.2815	0.2815
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0043	0.2815	0.2815
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0.1732	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.3294	0.5168
Brugia malayi	nuclear hormone receptor	0.0043	0.2815	0.2656
Schistosoma mansoni	hypothetical protein	0.0034	0.1726	0.2535
Echinococcus granulosus	tar DNA binding protein	0.0067	0.5439	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0043	0.2815	0.2656
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0043	0.2815	0.4975
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0034	0.1732	0.2902
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0043	0.2815	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0043	0.2815	0.2656
Echinococcus multilocularis	lamin dm0	0.003	0.1262	0.2002
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5439	0.8772
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0034	0.1732	0.2902
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.1732	0.2902
Schistosoma mansoni	hypothetical protein	0.0022	0.0353	0.023
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.2815	0.4975
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.1732	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0043	0.2815	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0495	0.0495
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0043	0.2815	0.4975
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0043	0.2815	0.2815
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0495	0.0495
Loa Loa (eye worm)	hypothetical protein	0.003	0.1262	0.1262
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0.1732	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Onchocerca volvulus		0.0043	0.2815	1
Echinococcus multilocularis	FTZ F1 alpha	0.0043	0.2815	0.4975
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0043	0.2815	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Brugia malayi	nuclear receptor NHR-88	0.0043	0.2815	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.1726	0.289
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0581	0.0612
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.3294	0.3294
Schistosoma mansoni	intermediate filament proteins	0.003	0.1262	0.1756
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5439	0.8772
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0495	0.0467
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0023	0.0495	0.0467
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0581	0.0697
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.1262	0.1262
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.5439	0.5338
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0043	0.2815	0.2656
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0043	0.2815	0.4975
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.5439	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0023	0.0495	0.0495
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0043	0.2815	0.4364
Onchocerca volvulus		0.003	0.1262	0.4023
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0043	0.2815	0.2656
Brugia malayi	nuclear receptor RXR	0.0023	0.0495	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.3294	0.5892
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Brugia malayi	Bromodomain containing protein	0.0079	0.6827	0.6757
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0.1732	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.1732	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.3294	0.5892
Loa Loa (eye worm)	hypothetical protein	0.0074	0.6318	0.6318
Onchocerca volvulus	Protein ultraspiracle homolog	0.0043	0.2815	1
Entamoeba histolytica	hypothetical protein	0.004	0.2386	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Brugia malayi	Steroid receptor seven-up type 2	0.0043	0.2815	0.2656
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.1726	0.1726
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Schistosoma mansoni	retinoic acid receptor RXR	0.0043	0.2815	0.4364
Echinococcus granulosus	intermediate filament protein	0.003	0.1262	0.2002
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.2386	0.4155
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5439	0.8772
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0495	0.0284
Loa Loa (eye worm)	DR-78	0.0021	0.0217	0.0217
Schistosoma mansoni	coup transcription factor	0.0043	0.2815	0.4364
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.1726	0.1543
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.2815	0.2656
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0043	0.2815	0.2815
Loa Loa (eye worm)	hypothetical protein	0.0045	0.2975	0.2975
Echinococcus multilocularis	lamin	0.003	0.1262	0.2002
Brugia malayi	ecdysteroid receptor	0.0043	0.2815	0.2656
Schistosoma mansoni	hypothetical protein	0.0073	0.617	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.2815	0.4975
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.2175	0.375
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0023	0.0495	0.0533
Echinococcus granulosus	GPCR family 2	0.0034	0.1726	0.289
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0495	0.0284
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.5439	0.5439
Schistosoma mansoni	hypothetical protein	0.0034	0.1726	0.2535
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.1262	0.1069
Echinococcus granulosus	FTZ F1 alpha	0.0043	0.2815	0.4975
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0034	0.1732	0.2546
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.1726	0.289
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0043	0.2815	0.4364
Brugia malayi	hypothetical protein	0.0023	0.0495	0.0284
Brugia malayi	intermediate filament protein	0.003	0.1262	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.2815	0.2656
Brugia malayi	isocitrate dehydrogenase	0.0034	0.1732	0.1549
Loa Loa (eye worm)	RNA binding protein	0.0067	0.5439	0.5439
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.2815	0.2656
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.5005	0.9169
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.1732	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0043	0.2815	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0043	0.2815	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0217	0.0217
Entamoeba histolytica	hypothetical protein	0.004	0.2386	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0043	0.2815	0.2815
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0043	0.2815	0.4975
Onchocerca volvulus		0.003	0.1262	0.4023
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.617	0.6086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0043	0.2815	0.2815
Echinococcus granulosus	lamin	0.003	0.1262	0.2002
Brugia malayi	RNA binding protein	0.0067	0.5439	0.5338
Schistosoma mansoni	lamin	0.003	0.1262	0.1756
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0021	0.0217	0.0217
Echinococcus granulosus	zinc finger protein	0.0021	0.0227	0.0021
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.5439	0.5439
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5439	0.8772
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0034	0.1732	0.1732
Schistosoma mansoni	zinc finger protein	0.0021	0.0227	0.0018
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.5005	0.9169
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.3294	0.3145
Loa Loa (eye worm)	intermediate filament protein	0.003	0.1262	0.1262
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.1732	0.2902
Schistosoma mansoni	thyroid hormone receptor	0.0043	0.2815	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.1726	0.289
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.2815	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2747	0.2747
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2815	0.2815
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0043	0.2815	0.2656
Schistosoma mansoni	bromodomain containing protein	0.0067	0.5432	0.8759
Schistosoma mansoni	hypothetical protein	0.004	0.2386	0.3644
Echinococcus multilocularis	musashi	0.003	0.1262	0.2002
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.2175	0.375
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.2815	0.2656

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.5 nM	Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk cells	ChEMBL.	19679469

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: CHEMBL585854

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 1081485