TDR Targets

Basic information

Technical information

TDR Targets ID: 440069
Name: 2-[3-[2-(azepan-1-yl)ethoxy]-4-methoxyphenyl] -5,7-dichloro-3H-isoindol-1-one
MW: 449.37 | Formula: C23H26Cl2N2O3
H donors: 0 H acceptors: 1 LogP: 4.95 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OCCN1CCCCCC1)N1Cc2c(C1=O)c(Cl)cc(c2)Cl
InChi: 1S/C23H26Cl2N2O3/c1-29-20-7-6-18(14-21(20)30-11-10-26-8-4-2-3-5-9-26)27-15-16-12-17(24)13-19(25)22(16)23(27)28/h6-7,12-14H,2-5,8-11,15H2,1H3
InChiKey: KXTOHQQZXQCPKK-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

2-[3-[2-(azepan-1-yl)ethoxy]-4-methoxy-phenyl]-5,7-dichloro-isoindolin-1-one
2-[3-[2-(1-azepanyl)ethoxy]-4-methoxyphenyl]-5,7-dichloro-1-isoindolinone
2-[3-[2-(azepan-1-yl)ethoxy]-4-methoxy-phenyl]-5,7-dichloro-3H-isoindol-1-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688
Brugia malayi	Serotonin receptor	Get druggable targets OG5_135430	All targets in OG5_135430
Echinococcus multilocularis	conserved hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688

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	0.0031	0.0092	0.0151
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Schistosoma mansoni	opsin-like receptor	0.0031	0.0092	0.0015
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0061	0.0447	0.0732
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0061	0.0447	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0536	0.6103	1
Schistosoma mansoni	adenoreceptor	0.0031	0.0092	0.0015
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0536	0.6103	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0031	0.0092	0.0138
Plasmodium falciparum	nitric oxide synthase, putative	0.0061	0.0447	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0536	0.6103	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0061	0.0447	0.0732
Brugia malayi	putative neuropeptide receptor NPR1	0.0031	0.0092	0.0138
Brugia malayi	FAD binding domain containing protein	0.0037	0.0171	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Treponema pallidum	flavodoxin	0.0023	0.0001	0.5
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0037	0.0171	0.028
Trypanosoma cruzi	p450 reductase, putative	0.0061	0.0447	0.0732
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0208	0.0208
Brugia malayi	Serotonin receptor	0.0031	0.0092	0.0138
Brugia malayi	Melatonin receptor type 1A	0.0031	0.0092	0.0138
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0054	0.0365	0.1338
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0061	0.0447	0.0732
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0061	0.0447	0.0732
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0023	0.0001	0.0002
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0031	0.0092	0.0138
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0037	0.0171	0.0145
Leishmania major	hypothetical protein, conserved	0.0023	0.0001	0.0002
Schistosoma mansoni	myosin xvIII	0.0031	0.0092	0.0015
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	TYRA-2 protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	follicle stimulating hormone receptor	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Schistosoma mansoni	hypothetical protein	0.0031	0.0092	0.0015
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0221	0.2351	0.3852
Toxoplasma gondii	flavodoxin domain-containing protein	0.003	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0252	0.2717	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	Dopamine receptor protein 1	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	flavodoxin family protein	0.0023	0.0001	0.0002
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0061	0.0447	0.0732
Chlamydia trachomatis	sulfite reductase	0.0037	0.0171	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0092	0.0151
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Brugia malayi	AKH receptor	0.0031	0.0092	0.0138
Loa Loa (eye worm)	melatonin receptor type 1A	0.0031	0.0092	0.0151
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0061	0.0447	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	G protein-coupled receptor	0.0031	0.0092	0.0138
Schistosoma mansoni	opsin-like receptor	0.0031	0.0092	0.0015
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0168	0.025
Brugia malayi	Serotonin receptor	0.0586	0.6697	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0221	0.2351	0.2279
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0536	0.6103	0.6067
Leishmania major	cytochrome P450 reductase, putative	0.0054	0.0365	0.0597
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0536	0.6103	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0124	0.0203
Brugia malayi	RE15519p	0.0031	0.0092	0.0138
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0061	0.0447	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0168	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0252	0.2717	1
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0023	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	CHE-14 protein	0.0221	0.2351	0.351
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Trichomonas vaginalis	sulfite reductase, putative	0.0061	0.0447	0.164
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0031	0.0092	0.0151
Schistosoma mansoni	histamine h1 receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	amine GPCR	0.0031	0.0092	0.0015
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0061	0.0447	0.0732
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0221	0.2351	0.3767
Loa Loa (eye worm)	hypothetical protein	0.0221	0.2351	0.3852
Schistosoma mansoni	opsin-like receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0092	0.0015
Echinococcus multilocularis	methionine synthase reductase	0.0037	0.0171	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0109	0.0179
Brugia malayi	putative neuropeptide receptor	0.0031	0.0092	0.0138
Echinococcus granulosus	methionine synthase reductase	0.0037	0.0171	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0001	0.5
Brugia malayi	G-protein coupled receptor	0.0031	0.0092	0.0138
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0092	0.0015
Onchocerca volvulus		0.0031	0.0092	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0031	0.0092	0.0138
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Onchocerca volvulus		0.0031	0.0092	0.5
Brugia malayi	flavodoxin family protein	0.0061	0.0447	0.0667
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0031	0.0092	0.0015
Onchocerca volvulus		0.0031	0.0092	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0221	0.2351	0.2367
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0031	0.0092	0.0015
Brugia malayi	Dopamine receptor	0.0031	0.0092	0.0138
Schistosoma mansoni	hypothetical protein	0.0031	0.0092	0.0015
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0124	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0061	0.0447	0.0732
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0001	0.5
Schistosoma mansoni	amine GPCR	0.0031	0.0092	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0221	0.2351	0.8651
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0001	0.5
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0023	0.0001	0.0002
Brugia malayi	sulfakinin receptor protein	0.0031	0.0092	0.0138
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.9633	1
Onchocerca volvulus		0.0031	0.0092	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0031	0.0092	0.5
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	flavodoxin family protein	0.0023	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	ORL1-like opioid receptor	0.0031	0.0092	0.0138
Brugia malayi	G-protein coupled receptor	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0447	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Brugia malayi	larval opioid receptor	0.0031	0.0092	0.0138
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0023	0.0001	0.0002
Brugia malayi	G protein-coupled receptor F59B2.13	0.0031	0.0092	0.0138
Echinococcus granulosus	Protein patched homolog 1	0.0221	0.2351	0.2279
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0092	0.0015
Leishmania major	p450 reductase, putative	0.0061	0.0447	0.0732
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0031	0.0092	0.5
Brugia malayi	FAD binding domain containing protein	0.0061	0.0447	0.0667
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0092	0.0015
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0031	0.0092	0.0138
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0061	0.0447	0.0357
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0031	0.0092	0.0151
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0031	0.0092	0.0015
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0061	0.0447	0.0357
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0092	0.0015
Brugia malayi	neuropeptide F receptor	0.0031	0.0092	0.0138
Plasmodium vivax	flavodoxin domain containing protein	0.0054	0.0365	0.8159
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0031	0.0092	0.0151
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0536	0.6103	0.9112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0252	0.2717	1
Echinococcus multilocularis	protein dispatched 1	0.0221	0.2351	0.2367
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0536	0.6103	0.63
Schistosoma mansoni	amine GPCR	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	Dopamine receptor protein 2	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0092	0.0015
Echinococcus granulosus	Niemann Pick C1 protein	0.0221	0.2351	0.2279
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0031	0.0092	0.0151
Schistosoma mansoni	patched 1	0.0221	0.2351	0.3767
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0092	0.0015
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0138	0.0506
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0536	0.6103	1
Onchocerca volvulus		0.0031	0.0092	0.5
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0092	0.0015
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0138	0.0506
Schistosoma mansoni	amine GPCR	0.0031	0.0092	0.0015
Schistosoma mansoni	hypothetical protein	0.0031	0.0092	0.0015
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0031	0.0092	0.0015
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0208	0.0208
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0252	0.2717	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	growth hormone secretagogue receptor	0.0031	0.0092	0.0015
Schistosoma mansoni	neuropeptide f receptor 76f	0.0031	0.0092	0.0015
Brugia malayi	GnHR receptor homolog	0.0031	0.0092	0.0138
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0061	0.0447	0.0371
Schistosoma mansoni	amine GPCR	0.0031	0.0092	0.0015
Onchocerca volvulus		0.0031	0.0092	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Onchocerca volvulus		0.0031	0.0092	0.5
Echinococcus multilocularis	protein patched	0.0221	0.2351	0.2367
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0168	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Onchocerca volvulus		0.0031	0.0092	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0168	0.0079
Schistosoma mansoni	hypothetical protein	0.0031	0.0092	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Brugia malayi	neuropeptide F receptor	0.0031	0.0092	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0151
Toxoplasma gondii	flavodoxin domain-containing protein	0.003	0.0083	0.5
Brugia malayi	hypothetical protein	0.0031	0.0092	0.0138
Echinococcus multilocularis	sterol regulatory element binding protein	0.0221	0.2351	0.2367
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0536	0.6103	1
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0061	0.0447	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0536	0.6103	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0031	0.0089	0.0009
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0061	0.0447	0.0371
Schistosoma mansoni	cytochrome P450 reductase	0.0061	0.0447	0.0604
Onchocerca volvulus		0.0031	0.0092	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0031	0.0092	0.0015

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Agonist activity at 5HT2B receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Activity (functional)		Agonist activity at 5HT2C receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Activity (functional)		Agonist activity at 5HT2A receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Activity (functional)	0	Agonist activity at 5HT2C receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Activity (functional)	0	Agonist activity at 5HT2A receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Activity (functional)	0	Agonist activity at 5HT2B receptor expressed in HEK293 cells assessed as intracellular calcium mobilisation up to 10 uM	ChEMBL.	17074479
Ki (binding)	= -8.6	Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells	ChEMBL.	17074479
Ki (binding)	= -6.7	Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells	ChEMBL.	17074479
Ki (binding)	= -6.2	Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells	ChEMBL.	17074479
Log Ki (binding)	= 6.2	Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells	ChEMBL.	17074479
Log Ki (binding)	= 6.7	Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells	ChEMBL.	17074479
Log Ki (binding)	= 8.6	Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells	ChEMBL.	17074479

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: CHEMBL395072
PubChem: 11453704

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 440069