TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 332.441 | Formula: C18H28N4O2
H donors: 3 H acceptors: 0 LogP: 1.98 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1OC(CNCCCNC1=NCCCN1)CC2
InChi: 1S/C18H28N4O2/c1-23-16-6-2-5-14-7-8-15(24-17(14)16)13-19-9-3-10-20-18-21-11-4-12-22-18/h2,5-6,15,19H,3-4,7-13H2,1H3,(H2,20,21,22)
InChiKey: WBQWCPFFDGOASI-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 1A, G protein-coupled	Starlite/ChEMBL	No references
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_133680	All targets in OG5_133680
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133680	All targets in OG5_133680
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249

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
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.0262	0.1162
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0739	0.3106	0.3106
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0739	0.3106	0.9292
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0058	0.0167	0.5
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0068	0.0208	0.0622
Echinococcus multilocularis	Smad4	0.0152	0.0571	0.1707
Toxoplasma gondii	LsmAD domain-containing protein	0.0215	0.0843	0.4133
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0035	0.0067	0.0199
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.008	0.0262	0.0783
Brugia malayi	nuclear receptor RXR	0.0035	0.0067	0.0067
Plasmodium falciparum	ataxin-2 like protein, putative	0.0215	0.0843	0.4133
Echinococcus multilocularis	isocitrate dehydrogenase	0.0481	0.1991	0.5955
Brugia malayi	hypothetical protein	0.0215	0.0843	0.0843
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0739	0.3106	0.9292
Schistosoma mansoni	tyrosine kinase	0.0023	0.0012	0.0018
Loa Loa (eye worm)	nuclear factor I	0.0084	0.0278	0.0278
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0074	0.0237	0.0347
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0074	0.0237	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Brugia malayi	conserved hypotetical protein	0.0035	0.0067	0.0067
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0074	0.0237	0.0237
Schistosoma mansoni	Smad4	0.0152	0.0571	0.0838
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Brugia malayi	Tyrosine-protein kinase abl-1	0.0423	0.1739	0.1739
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0074	0.0237	0.0347
Loa Loa (eye worm)	hypothetical protein	0.2336	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0074	0.0237	0.0237
Schistosoma mansoni	peptidase Clp (S14 family)	0.008	0.0262	0.0384
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0023	0.0012	0.0036
Loa Loa (eye worm)	MH1 domain-containing protein	0.0068	0.0208	0.0208
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0074	0.0234	0.0699
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0739	0.3106	0.3106
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0074	0.0237	0.0237
Onchocerca volvulus		0.0233	0.092	1
Echinococcus multilocularis	FTZ F1 alpha	0.0074	0.0237	0.0707
Schistosoma mansoni	tar DNA-binding protein	0.0794	0.3343	0.4909
Schistosoma mansoni	hypothetical protein	0.0739	0.3106	0.4561
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0035	0.0067	0.0199
Loa Loa (eye worm)	TAR-binding protein	0.0794	0.3343	0.3343
Brugia malayi	hypothetical protein	0.0035	0.0067	0.0067
Schistosoma mansoni	nuclear hormone receptor	0.0074	0.0237	0.0347
Brugia malayi	Glycosyl transferase family 8 protein	0.0076	0.0244	0.0244
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0074	0.0237	0.0237
Loa Loa (eye worm)	transcription factor SMAD2	0.2229	0.9538	0.9538
Schistosoma mansoni	Smad4	0.0068	0.0208	0.0305
Loa Loa (eye worm)	pax transcription factor protein 2	0.0233	0.092	0.092
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0074	0.0237	0.0237
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0481	0.1991	0.5955
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0152	0.0571	0.1707
Brugia malayi	MH2 domain containing protein	0.0152	0.0571	0.0571
Echinococcus granulosus	Smad4	0.0152	0.0571	0.1707
Schistosoma mansoni	tyrosine kinase	0.0023	0.0012	0.0018
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0085	0.0085
Onchocerca volvulus	Bile acid receptor homolog	0.0074	0.0237	0.1991
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0074	0.0237	0.0707
Brugia malayi	Smad1	0.0152	0.0571	0.0571
Brugia malayi	MH1 domain containing protein	0.0084	0.0278	0.0278
Echinococcus granulosus	GPCR family 2	0.0739	0.3106	0.9292
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.0262	0.1162
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0035	0.0067	0.0067
Schistosoma mansoni	tar DNA-binding protein	0.0794	0.3343	0.4909
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0074	0.0237	0.0237
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0068	0.0208	0.0622
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0058	0.0167	0.0167
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Brugia malayi	ecdysone receptor	0.0035	0.0067	0.0067
Schistosoma mansoni	retinoic acid receptor RXR	0.0074	0.0237	0.0347
Echinococcus granulosus	mothers against decapentaplegic 5	0.0152	0.0571	0.1707
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0035	0.0067	0.0199
Echinococcus granulosus	Glycosyl transferase family 8	0.0076	0.0244	0.0731
Echinococcus multilocularis	conserved hypothetical protein	0.0057	0.0159	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.2336	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0085	0.0085
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0074	0.0237	0.0237
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0096	0.0331	0.099
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0058	0.0167	0.0499
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Brugia malayi	RNA binding protein	0.0794	0.3343	0.3343
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0058	0.0167	0.0499
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0023	0.0012	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0035	0.0067	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0208	0.0208
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0074	0.0237	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0739	0.3106	0.3106
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0085	0.0085
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0074	0.0237	0.0347
Brugia malayi	hypothetical protein	0.0139	0.0514	0.0514
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0074	0.0234	0.0699
Schistosoma mansoni	hypothetical protein	0.0739	0.3106	0.4561
Brugia malayi	MH1 domain containing protein	0.0152	0.0571	0.0571
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0085	0.0085
Brugia malayi	nuclear hormone receptor family member odr-7	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.0262	0.1162
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0481	0.1991	0.5955
Echinococcus granulosus	thyroid hormone receptor alpha	0.0035	0.0067	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1056	0.1056
Echinococcus multilocularis	c src tyrosine kinase	0.0023	0.0012	0.0036
Loa Loa (eye worm)	steroid hormone receptor	0.0074	0.0237	0.0237
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0739	0.3106	0.9292
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0035	0.0067	0.0199
Brugia malayi	mothers against decapentaplegic homolog 3	0.0068	0.0208	0.0208
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0481	0.1991	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0518	0.2153	0.2153
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0096	0.0331	0.099
Brugia malayi	SRC-1	0.0023	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0085	0.0085
Brugia malayi	ecdysteroid receptor	0.0074	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0703	0.0703
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0057	0.0159	0.0476
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0074	0.0237	0.1991
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0481	0.1991	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0074	0.0237	0.0707
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0074	0.0237	0.0237
Schistosoma mansoni	hypothetical protein	0.1597	0.6809	1
Brugia malayi	Pax transcription factor protein 2	0.0233	0.092	0.092
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0035	0.0067	0.0199
Toxoplasma gondii	isocitrate dehydrogenase	0.0481	0.1991	1
Loa Loa (eye worm)	hypothetical protein	0.1597	0.6809	0.6809
Loa Loa (eye worm)	RNA binding protein	0.0794	0.3343	0.3343
Loa Loa (eye worm)	SRC-1	0.0023	0.0012	0.0012
Echinococcus granulosus	ecdysone induced protein 78C	0.0074	0.0237	0.0707
Echinococcus multilocularis	ecdysone induced protein 78C	0.0074	0.0237	0.0707
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0481	0.1991	0.1991
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0074	0.0237	0.0707
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0058	0.0167	0.0167
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0794	0.3343	0.3343
Loa Loa (eye worm)	Smad1	0.0152	0.0571	0.0571
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0074	0.0237	0.0347
Loa Loa (eye worm)	hypothetical protein	0.008	0.0262	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0074	0.0237	0.0707
Echinococcus multilocularis	nuclear receptor nhr 48	0.0035	0.0067	0.0199
Loa Loa (eye worm)	hypothetical protein	0.016	0.0605	0.0605
Brugia malayi	nuclear receptor NHR-88	0.0074	0.0237	0.0237
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0074	0.0237	0.0707
Plasmodium vivax	ataxin-2 like protein, putative	0.0215	0.0843	0.4133
Schistosoma mansoni	nuclear hormone receptor	0.0035	0.0067	0.0098
Onchocerca volvulus	Protein ultraspiracle homolog	0.0074	0.0237	0.1991
Brugia malayi	hypothetical protein	0.0039	0.0085	0.0085
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0481	0.1991	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0023	0.0012	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Schistosoma mansoni	tyrosine kinase	0.0687	0.2881	0.423
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0142	0.0425
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0076	0.0244	0.0731
Schistosoma mansoni	smad1 5 8 and	0.0152	0.0571	0.0838
Brugia malayi	tailless protein	0.0035	0.0067	0.0067
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0068	0.0208	0.1656
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0739	0.3106	0.9292
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0074	0.0237	0.0707
Brugia malayi	MH2 domain containing protein	0.0152	0.0571	0.0571
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0182	0.0703	0.7453
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0023	0.0012	0.0036
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0039	0.0085	0.0254
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.0237	0.0237
Brugia malayi	N-terminal motif family protein	0.0182	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0085	0.0085
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0039	0.0085	0.0085
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0152	0.0571	0.1707
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0481	0.1991	1
Brugia malayi	Steroid receptor seven-up type 2	0.0553	0.2304	0.2304
Brugia malayi	MH2 domain containing protein	0.2229	0.9538	0.9538
Echinococcus granulosus	mothers against decapentaplegic 2	0.0068	0.0208	0.0622
Schistosoma mansoni	nuclear receptor	0.0035	0.0067	0.0098
Echinococcus granulosus	biogenic amine 5HT receptor	0.016	0.0605	0.1811
Mycobacterium tuberculosis	Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH)	0.0058	0.0167	0.0134
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Schistosoma mansoni	hypothetical protein	0.0739	0.3106	0.4561
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0023	0.0012	0.0036
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0481	0.1991	1
Brugia malayi	hypothetical protein	0.0039	0.0085	0.0085
Brugia malayi	photoreceptor-specific nuclear receptor	0.0557	0.2318	0.2318
Echinococcus granulosus	tar DNA binding protein	0.0794	0.3343	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0074	0.0237	0.0237
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0074	0.0237	0.0237
Echinococcus multilocularis	tar DNA binding protein	0.0794	0.3343	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.2229	0.9538	0.9538
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0074	0.0237	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Schistosoma mansoni	smad	0.0068	0.0208	0.0305
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0039	0.0085	0.0124
Brugia malayi	isocitrate dehydrogenase	0.0481	0.1991	0.1991
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0074	0.0234	0.0699
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	0.5
Loa Loa (eye worm)	hypothetical protein	0.0557	0.2318	0.2318
Schistosoma mansoni	zinc finger protein	0.0035	0.0067	0.0098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0074	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Brugia malayi	RNA recognition motif domain containing protein	0.0794	0.3343	0.3343
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0481	0.1991	1
Schistosoma mansoni	smad	0.0152	0.0571	0.0838
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0058	0.0167	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Onchocerca volvulus		0.0074	0.0237	0.1991
Loa Loa (eye worm)	hypothetical protein	0.0325	0.132	0.132
Brugia malayi	steroid hormone receptor	0.0074	0.0237	0.0237
Echinococcus multilocularis	GPCR, family 2	0.0739	0.3106	0.9292
Echinococcus granulosus	c src tyrosine kinase	0.0023	0.0012	0.0036
Echinococcus granulosus	smad	0.0152	0.0571	0.1707
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0058	0.0167	0.0167
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0074	0.0237	0.0707
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0035	0.0067	0.0199
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.0142	0.4744
Loa Loa (eye worm)	hypothetical protein	0.016	0.0605	0.0605
Toxoplasma gondii	isocitrate dehydrogenase	0.0481	0.1991	1
Echinococcus granulosus	mothers against decapentaplegic 6	0.0068	0.0208	0.0622
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0039	0.0085	0.0254
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0023	0.0012	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0237	0.0237
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0035	0.0067	0.0199
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.0085	0.0124
Brugia malayi	nuclear hormone receptor	0.0074	0.0237	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0074	0.0237	0.0237
Schistosoma mansoni	hypothetical protein	0.0739	0.3106	0.4561
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0012	0.0036
Brugia malayi	Probable isocitrate dehydrogenase	0.0058	0.0167	0.0167
Schistosoma mansoni	RAR-like nuclear receptor	0.0074	0.0237	0.0347
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0697	0.2924	0.8746
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0074	0.0237	0.0237
Loa Loa (eye worm)	DR-78	0.0035	0.0067	0.0067
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0035	0.0067	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0167	0.0167
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0481	0.1991	0.2923
Brugia malayi	MH1 domain containing protein	0.0084	0.0278	0.0278
Schistosoma mansoni	tyrosine kinase	0.0023	0.0012	0.0018
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0152	0.0571	0.0838
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	0.1162
Brugia malayi	nuclear receptor NHR-88	0.0035	0.0067	0.0067
Schistosoma mansoni	unc-13 (munc13)	0.0058	0.0167	0.0245
Loa Loa (eye worm)	TK/ABL protein kinase	0.0697	0.2924	0.2924
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0023	0.0012	0.0036
Echinococcus multilocularis	serotonin receptor	0.016	0.0605	0.1811
Brugia malayi	orphan nuclear receptor NR2E1	0.0035	0.0067	0.0067
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0284	0.1142	0.3415
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0058	0.0167	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0152	0.0571	0.1707
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0035	0.0067	0.0067
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0023	0.0012	0.0036
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0023	0.0012	0.0036
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0058	0.0167	0.5835
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0074	0.0237	0.0237
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0074	0.0237	0.0707
Schistosoma mansoni	hypothetical protein	0.0096	0.0331	0.0486
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0058	0.0167	0.0167
Brugia malayi	Probable ClpP-like protease	0.008	0.0262	0.0262
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.008	0.0262	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0074	0.0237	0.0707
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0481	0.1991	0.5955
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0023	0.0012	0.0036
Schistosoma mansoni	isocitrate dehydrogenase	0.0058	0.0167	0.0245
Brugia malayi	Latrophilin receptor protein 2	0.0739	0.3106	0.3106
Schistosoma mansoni	tyrosine kinase	0.0023	0.0012	0.0018
Brugia malayi	Probable isocitrate dehydrogenase	0.0058	0.0167	0.0167
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0074	0.0237	0.0237
Brugia malayi	nuclear hormone receptor	0.0035	0.0067	0.0067
Brugia malayi	nuclear receptor RXR	0.0039	0.0085	0.0085
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0074	0.0237	0.0347
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0035	0.0067	0.0199
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0278	0.0278
Schistosoma mansoni	tar DNA-binding protein	0.0794	0.3343	0.4909
Loa Loa (eye worm)	MH1 domain-containing protein	0.0152	0.0571	0.0571
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	1
Schistosoma mansoni	tar DNA-binding protein	0.0794	0.3343	0.4909
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0074	0.0237	0.0237
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0697	0.2924	0.8746
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0023	0.0012	0.0036
Brugia malayi	Tyrosine-protein kinase abl-1	0.0284	0.1142	0.1142
Schistosoma mansoni	nuclear hormone receptor	0.0035	0.0067	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Brugia malayi	MH2 domain containing protein	0.0068	0.0208	0.0208
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0481	0.1991	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.2336	1	1
Echinococcus multilocularis	serotonin receptor	0.016	0.0605	0.1811
Echinococcus granulosus	FTZ F1 alpha	0.0074	0.0237	0.0707
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0481	0.1991	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0514	0.2134	0.2134
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0074	0.0237	0.0237
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0076	0.0244	0.0244
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0074	0.0237	0.0347
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0058	0.0167	0.0499
Brugia malayi	TAR-binding protein	0.0794	0.3343	0.3343
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Leishmania major	hypothetical protein, conserved	0.0215	0.0843	0.3706
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.008	0.0262	0.0783
Schistosoma mansoni	smad1 5 8 and	0.0152	0.0571	0.0838
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0074	0.0237	0.0707
Schistosoma mansoni	glycosyltransferase-related	0.0076	0.0244	0.0359
Schistosoma mansoni	Smad4	0.0068	0.0208	0.0305
Loa Loa (eye worm)	MH2 domain-containing protein	0.0152	0.0571	0.0571
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0023	0.0012	0.0018
Brugia malayi	MH1 domain containing protein	0.0152	0.0571	0.0571
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0142	0.0425
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0035	0.0067	0.0098
Schistosoma mansoni	biogenic amine (5HT) receptor	0.016	0.0605	0.0889
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.008	0.0262	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0215	0.0843	0.0843
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0481	0.1991	0.5955
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0074	0.0237	0.0707
Brugia malayi	Isocitrate dehydrogenase	0.0481	0.1991	0.1991
Plasmodium falciparum	ataxin-2 like protein, putative	0.0215	0.0843	0.4133
Echinococcus multilocularis	smad	0.0152	0.0571	0.1707
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0481	0.1991	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0553	0.2304	0.6893
Loa Loa (eye worm)	MH2 domain-containing protein	0.0068	0.0208	0.0208
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0057	0.0159	0.0476
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0058	0.0167	0.0245
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0035	0.0067	0.0199
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.0067	0.0067
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0553	0.2304	0.6893
Schistosoma mansoni	tar DNA-binding protein	0.0794	0.3343	0.4909
Brugia malayi	latrophilin 2 splice variant baaae	0.1597	0.6809	0.6809
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0023	0.0012	0.0036
Schistosoma mansoni	smad1 5 8 and	0.0152	0.0571	0.0838
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0023	0.0012	0.0036
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0074	0.0237	0.0237
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0074	0.0237	0.0237
Schistosoma mansoni	coup transcription factor	0.0074	0.0237	0.0347
Schistosoma mansoni	nuclear receptor nhr-48	0.0035	0.0067	0.0098
Schistosoma mansoni	nuclear receptor	0.0035	0.0067	0.0098
Schistosoma mansoni	thyroid hormone receptor	0.0074	0.0237	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0067	0.0067
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0074	0.0237	0.0237
Brugia malayi	nuclear receptor NHR-67	0.0035	0.0067	0.0067
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0074	0.0234	0.0699

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.00000000209 M	Effective dose required to induce constriction of dog saphenous vein segments	ChEMBL.	No reference
IC50 (binding)	= 8.3	Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells	ChEMBL.	No reference
IC50 (binding)	= 9.1	Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra	ChEMBL.	No reference
Log IC50 (binding)	= 8.3	Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells	ChEMBL.	No reference
Log IC50 (binding)	= 9.1	Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra	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: CHEMBL88283

Bibliographic References

No literature references available for this target.

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Detailed information for compound 148093