TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 325.38 | Formula: C19H20FN3O
H donors: 2 H acceptors: 1 LogP: 3.28 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCc1c[nH]c2c1c(ccc2)NC(=O)c1ccc(cc1)F)C
InChi: 1S/C19H20FN3O/c1-23(2)11-10-14-12-21-16-4-3-5-17(18(14)16)22-19(24)13-6-8-15(20)9-7-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,24)
InChiKey: LWFKPPGHZYRIFD-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	serotonin receptor	5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled	366 aa	399 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0051	0.0361	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Schistosoma mansoni	lipoxygenase	0.0251	0.2504	0.2351
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0361	0.7498
Trypanosoma cruzi	aminopeptidase, putative	0.0051	0.0361	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0201	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.2255	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0456	1
Onchocerca volvulus	Huntingtin homolog	0.0244	0.2424	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0075	0.1447
Brugia malayi	hypothetical protein	0.0042	0.0269	0.0438
Brugia malayi	hypothetical protein	0.0051	0.0361	0.0646
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0456	0.026
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0456	0.2023
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0075	0.0332
Trypanosoma brucei	aminopeptidase, putative	0.0051	0.0361	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0201	0.4275
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0075	0.1447
Onchocerca volvulus		0.0042	0.0269	0.0825
Echinococcus granulosus	RUN	0.0042	0.0269	0.0069
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.0336	0.0326
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0201	0.0891
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0201	1
Onchocerca volvulus		0.0036	0.0201	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0456	0.026
Trypanosoma brucei	Aminopeptidase M1, putative	0.0051	0.0361	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0051	0.0361	1
Toxoplasma gondii	aminopeptidase n, putative	0.0051	0.0361	0.6261
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0201	0.0891
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0051	0.0361	0.0351
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Brugia malayi	hypothetical protein	0.0042	0.0269	0.0438
Brugia malayi	hypothetical protein	0.0438	0.45	1
Echinococcus multilocularis	geminin	0.0167	0.1605	0.1433
Echinococcus multilocularis	aminopeptidase N	0.0051	0.0361	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0244	0.2424	0.2417
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Onchocerca volvulus		0.0036	0.0201	0.0537
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0075	0.1447
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0051	0.0361	0.0163
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0051	0.0361	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0952	1	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0201	0.0891
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0051	0.0361	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0075	0.1447
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0269	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0269	0.0259
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Schistosoma mansoni	hypothetical protein	0.0167	0.1605	0.1433
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.001	0.5
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0051	0.0361	0.0163
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0051	0.0361	1
Schistosoma mansoni	rab6-interacting	0.0042	0.0269	0.0069
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0456	1
Plasmodium falciparum	LCCL domain-containing protein	0.0042	0.0269	0.7372
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0051	0.0361	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Brugia malayi	hypothetical protein	0.0051	0.0361	0.0646
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0051	0.0361	1
Onchocerca volvulus		0.0051	0.0361	0.1216
Onchocerca volvulus		0.0036	0.0201	0.0537
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0201	0.0891
Brugia malayi	beta-lactamase family protein	0.0036	0.0201	0.0285
Loa Loa (eye worm)	doublecortin family protein	0.0042	0.0269	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Plasmodium vivax	multidomain scavenger receptor, putative	0.0042	0.0269	0.7372
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0456	0.026
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0075	0.1447
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0201	0.0891
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0051	0.0361	0.0163
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0201	0.0891
Schistosoma mansoni	loxhd1	0.0042	0.0269	0.0069
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0051	0.0361	0.0163
Echinococcus granulosus	geminin	0.0167	0.1605	0.1433
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0952	1	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0269	0.0069
Leishmania major	hypothetical protein, conserved	0.0036	0.0201	0.3307
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0269	0.0069
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0201	0.0191
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0201	0.0285
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0201	0.5439
Schistosoma mansoni	polycystin 1-related	0.0042	0.0269	0.0069
Loa Loa (eye worm)	aminopeptidase N	0.0051	0.0361	0.0351
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0075	0.1447
Mycobacterium ulcerans	aminopeptidase N PepN	0.0051	0.0361	0.786
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0361	0.7498
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0201	0.0891
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0952	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0456	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0251	0.2504	0.2351
Echinococcus granulosus	aminopeptidase N	0.0051	0.0361	0.0163
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0051	0.0361	1
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0361	0.0646
Schistosoma mansoni	hypothetical protein	0.0167	0.1605	0.1433
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0201	0.4275
Schistosoma mansoni	lipoxygenase	0.0176	0.1697	0.1526
Echinococcus multilocularis	Polycystic kidney disease protein	0.0042	0.0269	0.0069
Mycobacterium ulcerans	lipase LipD	0.0036	0.0201	0.4275
Mycobacterium ulcerans	aminopeptidase N PepN	0.0051	0.0361	0.786
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0361	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0361	0.0351
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0201	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0075	0.0065
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0051	0.0361	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0456	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0456	0.026
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.001	0.0046
Trypanosoma cruzi	aminopeptidase, putative	0.0051	0.0361	1
Brugia malayi	hypothetical protein	0.0244	0.2424	0.5309
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0051	0.0361	1
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0051	0.0361	0.0163
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0051	0.0361	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0075	0.1447
Loa Loa (eye worm)	hypothetical protein	0.0244	0.2424	0.2417
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0201	0.0891
Schistosoma mansoni	rab6-interacting	0.0042	0.0269	0.0069
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0456	1
Toxoplasma gondii	aminopeptidase N, putative	0.0051	0.0361	0.6261
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0201	0.4275
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0361	0.7498
Onchocerca volvulus	Huntingtin homolog	0.0244	0.2424	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0816	0.8542	0.8512
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0361	0.0351
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Brugia malayi	TATA binding protein associated factor	0.0051	0.0361	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0269	0.0259
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0051	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0361	0.0351
Onchocerca volvulus		0.0042	0.0269	0.0825
Toxoplasma gondii	aminopeptidase N protein	0.0051	0.0361	0.6261
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0361	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0051	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0075	0.0065
Brugia malayi	beta-lactamase	0.0036	0.0201	0.0285
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0075	0.0332
Loa Loa (eye worm)	TATA binding protein associated factor	0.0051	0.0361	0.0351
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0336	0.059
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0251	0.2504	0.2351
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0361	0.7498
Onchocerca volvulus		0.0051	0.0361	0.1216
Brugia malayi	Doublecortin family protein	0.0042	0.0269	0.0438
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0075	0.1447
Onchocerca volvulus		0.0051	0.0361	0.1216
Echinococcus multilocularis	RUN	0.0042	0.0269	0.0069
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0201	0.0191
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0201	0.4275
Echinococcus granulosus	Polycystic kidney disease protein	0.0042	0.0269	0.0069
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0201	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Entamoeba histolytica	aminopeptidase, putative	0.0051	0.0361	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0269	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0075	0.0065
Trypanosoma brucei	Aminopeptidase M1, putative	0.0051	0.0361	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0269	0.0069
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0051	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0201	0.0191
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0361	0.0163
Brugia malayi	beta-lactamase family protein	0.0036	0.0201	0.0285

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.8 nM	Binding affinity of the compound towards human 5-hydroxytryptamine 1F receptor	ChEMBL.	11708905
Ki (binding)	= 3.8 nM	Binding affinity of the compound towards human 5-hydroxytryptamine 1F receptor	ChEMBL.	11708905
Selectivity (binding)	= 3	Selectivity is the binding affinity of the compound towards human 5-HT1A receptor to that of human 5-HT1F receptor	ChEMBL.	11708905
Selectivity (binding)	= 3	Selectivity is the binding affinity of the compound towards human 5-HT1D receptor to that of human 5-HT1F receptor	ChEMBL.	11708905
Selectivity (binding)	= 9	Selectivity is the binding affinity of the compound towards human 5-HT1B receptor to that of human 5-HT1F receptor	ChEMBL.	11708905

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: CHEMBL421287

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 222769