TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.391 | Formula: C18H20N6O
H donors: 1 H acceptors: 3 LogP: 1.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N1CCc2c(CC1)nc1n(c2N2CC(C2)Oc2ccccn2)ncc1
InChi: 1S/C18H20N6O/c1-2-7-20-17(3-1)25-13-11-23(12-13)18-14-4-8-19-9-5-15(14)22-16-6-10-21-24(16)18/h1-3,6-7,10,13,19H,4-5,8-9,11-12H2
InChiKey: ZKNSCPDFVLIXAH-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 2C, 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 2B, 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
Echinococcus multilocularis	conserved 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

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
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0311	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0075	0.0607	0.1282
Plasmodium falciparum	thioredoxin reductase	0.0016	0.0001	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0075	0.0607	0.0961
Plasmodium vivax	acyl-CoA synthetase, putative	0.0319	0.3116	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.092	0.1652
Schistosoma mansoni	amine GPCR	0.0075	0.0607	0.1282
Echinococcus multilocularis	fmrfamide receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	acetolactate synthase	0.0476	0.4734	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0184	0.173	1
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0238	0.2288	0.411
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0075	0.0607	0.0607
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0001	0.0036
Echinococcus multilocularis	g protein coupled receptor	0.0075	0.0607	0.0607
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Echinococcus multilocularis	neuropeptide receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	hypothetical protein	0.0031	0.0159	0.0335
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0311	0.0559
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0316	0.0668
Brugia malayi	neuropeptide F receptor	0.0075	0.0607	0.0961
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0001	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0316	0.0316
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0001	0.0002
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Brugia malayi	larval opioid receptor	0.0075	0.0607	0.0961
Entamoeba histolytica	pyruvate:ferredoxin oxidoreductase	0.0081	0.067	1
Echinococcus multilocularis	neuropeptide receptor	0.0075	0.0607	0.0607
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0016	0.0001	0.0004
Echinococcus multilocularis	serotonin receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	histamine h1 receptor	0.0075	0.0607	0.1282
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Echinococcus granulosus	sex peptide receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	Serotonin receptor	0.0631	0.6318	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0075	0.0607	0.1282
Echinococcus granulosus	biogenic amine 5HT receptor	0.0075	0.0607	0.0607
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0075	0.0607	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0311	0.1
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0558	0.5567	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	G protein coupled receptor 139	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	neuropeptide F receptor	0.0075	0.0607	0.1836
Echinococcus granulosus	orexin receptor type 2	0.0075	0.0607	0.0607
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Echinococcus multilocularis	neuropeptide Y receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	neuropeptides capa receptor	0.0075	0.0607	0.0607
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0316	0.0501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0316	0.0668
Schistosoma mansoni	opsin-like receptor	0.0075	0.0607	0.1282
Plasmodium falciparum	acyl-CoA synthetase	0.0319	0.3116	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0075	0.0607	0.1282
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.092	0.1652
Schistosoma mansoni	opsin-like receptor	0.0075	0.0607	0.1282
Mycobacterium ulcerans	hypothetical protein	0.0558	0.5567	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0075	0.0607	0.1836
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0025	0.009	0.009
Trichomonas vaginalis	chaperonin, putative	0.0025	0.009	0.1335
Treponema pallidum	pyruvate oxidoreductase	0.0081	0.067	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0001	0.0007
Echinococcus multilocularis	orexin receptor type 2	0.0075	0.0607	0.0607
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0075	0.0607	0.0607
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0558	0.5567	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0316	0.0316
Plasmodium falciparum	glutathione reductase	0.0046	0.0311	0.1
Brugia malayi	Thiamine pyrophosphate enzyme, central domain containing protein	0.0558	0.5567	0.8812
Brugia malayi	T-complex protein 1, beta subunit	0.0025	0.009	0.0143
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0016	0.0001	0.0004
Leishmania major	T-complex protein 1, beta subunit, putative	0.0025	0.009	0.029
Echinococcus granulosus	tm gpcr rhodopsin	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0311	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0159	0.048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0316	0.0668
Echinococcus granulosus	7TM GPCR rhodopsin	0.0075	0.0607	0.0607
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.092	0.1652
Echinococcus granulosus	serotonin receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	tm gpcr rhodopsin	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	hypothetical protein	0.0171	0.1589	0.3358
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	cytochrome P450 family protein	0.005	0.0348	0.1053
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Loa Loa (eye worm)	TYRA-2 protein	0.0075	0.0607	0.1836
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0001	0.0007
Schistosoma mansoni	neuropeptide receptor	0.0075	0.0607	0.1282
Brugia malayi	T-complex protein 1, beta subunit	0.0025	0.009	0.0143
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Mycobacterium ulcerans	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	0.0099	0.0855	0.1534
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Schistosoma mansoni	neuropeptide receptor	0.0075	0.0607	0.1282
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0159	0.0251
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0316	0.0316
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.0001	0.0004
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0558	0.5567	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0075	0.0607	0.1282
Brugia malayi	G-protein coupled receptor	0.0075	0.0607	0.0961
Brugia malayi	G protein-coupled receptor	0.0075	0.0607	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.018	0.1689	1
Schistosoma mansoni	hypothetical protein	0.0075	0.0607	0.1282
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0319	0.3116	0.5596
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.032	0.3122	0.944
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0159	0.0159
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.1041	0.1869
Echinococcus multilocularis	neuropeptide Y receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0075	0.0607	0.0607
Echinococcus multilocularis	g-protein coupled receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	biogenic amine receptor	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0075	0.0607	0.1836
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.009	0.0191
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0001	0.0007
Echinococcus granulosus	g protein coupled receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0075	0.0607	0.1282
Schistosoma mansoni	neuropeptide f receptor 76f	0.0075	0.0607	0.1282
Brugia malayi	G-protein coupled receptor	0.0075	0.0607	0.0961
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0075	0.0607	0.0607
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0075	0.0607	0.1282
Brugia malayi	putative neuropeptide receptor	0.0075	0.0607	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0532	0.0843
Echinococcus granulosus	allatostatin A receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0075	0.0607	0.1282
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0311	0.1
Brugia malayi	putative neuropeptide receptor NPR1	0.0075	0.0607	0.0961
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.009	0.0191
Brugia malayi	Dopamine receptor	0.0075	0.0607	0.0961
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0075	0.0607	0.1836
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0159	0.0159
Leishmania major	phosphonopyruvate decarboxylase-like protein	0.018	0.1689	0.542
Loa Loa (eye worm)	hypothetical protein	0.0184	0.173	0.5231
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0001	0.5
Echinococcus granulosus	g protein coupled receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0001	0.0007
Schistosoma mansoni	hypothetical protein	0.0031	0.0159	0.0335
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0075	0.0607	0.0607
Echinococcus multilocularis	geminin	0.0171	0.1589	0.1589
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0001	0.0004
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0075	0.0607	0.1282
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Brugia malayi	AKH receptor	0.0075	0.0607	0.0961
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0159	0.0251
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.1041	0.0394
Trypanosoma brucei	trypanothione reductase	0.0046	0.0311	0.1844
Echinococcus granulosus	neuropeptides capa receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0854	0.2584
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0075	0.0607	0.0607
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0075	0.0607	0.0607
Echinococcus granulosus	neuropeptides capa receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0075	0.0607	0.0607
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0001	0.0004
Mycobacterium ulcerans	2-oxoglutarate ferredoxin oxidoreductase subunit beta	0.0081	0.067	0.1202
Brugia malayi	Melatonin receptor type 1A	0.0075	0.0607	0.0961
Schistosoma mansoni	opsin-like receptor	0.0075	0.0607	0.1282
Mycobacterium tuberculosis	Probable oxidoreductase (beta subunit)	0.0081	0.067	0.1204
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0075	0.0607	0.0607
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0159	0.0159
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Echinococcus granulosus	g protein coupled receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0532	0.161
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	ORL1-like opioid receptor	0.0075	0.0607	0.0961
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0001	0.0036
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	neuropeptide receptor A26	0.0989	1	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Mycobacterium ulcerans	acetolactate synthase	0.0319	0.3116	0.5596
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	biogenic amine receptor	0.0075	0.0607	0.1282
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0075	0.0607	0.0607
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0854	0.1352
Brugia malayi	neuropeptide F receptor	0.0075	0.0607	0.0961
Echinococcus granulosus	somatostatin receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	hypothetical protein	0.0908	0.9173	0.9173
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.092	0.0137
Brugia malayi	Cytochrome P450 family protein	0.005	0.0348	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0075	0.0607	0.0607
Schistosoma mansoni	hypothetical protein	0.0075	0.0607	0.1282
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0001	0.0007
Echinococcus granulosus	tm gpcr rhodopsin	0.0075	0.0607	0.0607
Loa Loa (eye worm)	melatonin receptor type 1A	0.0075	0.0607	0.1836
Loa Loa (eye worm)	G-protein coupled receptor	0.0075	0.0607	0.1836
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0159	0.048
Loa Loa (eye worm)	T-complex protein 1	0.0025	0.009	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0075	0.0607	0.0961
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0159	0.0159
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Schistosoma mansoni	neuropeptide receptor	0.0075	0.0607	0.1282
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0075	0.0607	0.1282
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	amine GPCR	0.0075	0.0607	0.1282
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0025	0.009	0.0535
Brugia malayi	follicle stimulating hormone receptor	0.0075	0.0607	0.0961
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0311	0.0311
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.009	0.0191
Loa Loa (eye worm)	ILVBL protein	0.0338	0.3307	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0075	0.0607	0.1282
Echinococcus multilocularis	G protein coupled receptor 139	0.0075	0.0607	0.0607
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0075	0.0607	0.1282
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Brugia malayi	GnHR receptor homolog	0.0075	0.0607	0.0961
Echinococcus granulosus	dro:myosuppressin receptor	0.0075	0.0607	0.0607
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0319	0.3116	0.5596
Echinococcus granulosus	g-protein coupled receptor	0.0075	0.0607	0.0607
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0075	0.0607	0.0607
Schistosoma mansoni	amine GPCR	0.0075	0.0607	0.1282
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.018	0.1689	1
Schistosoma mansoni	amine GPCR	0.0075	0.0607	0.1282
Schistosoma mansoni	neuropeptide F-like receptor	0.0075	0.0607	0.1282
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0558	0.5567	1
Leishmania major	trypanothione reductase	0.0046	0.0311	0.1
Schistosoma mansoni	hypothetical protein	0.0031	0.0159	0.0335
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0075	0.0607	0.0607
Mycobacterium tuberculosis	Probable reductase	0.0105	0.092	0.1652
Schistosoma mansoni	hypothetical protein	0.0068	0.0532	0.1125
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0025	0.009	0.029
Schistosoma mansoni	growth hormone secretagogue receptor	0.0075	0.0607	0.1282
Brugia malayi	glutathione reductase	0.0046	0.0311	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	allatostatin A receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Schistosoma mansoni	hypothetical protein	0.0075	0.0607	0.1282
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.092	0.1652
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0075	0.0607	0.0961
Echinococcus multilocularis	dro:myosuppressin receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0075	0.0607	0.1836
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0316	0.0956
Echinococcus granulosus	7tm_1 domain containing protein	0.0075	0.0607	0.0607
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0075	0.0607	0.0961
Schistosoma mansoni	biogenic amine receptor	0.0075	0.0607	0.1282
Echinococcus multilocularis	g protein coupled receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.8402	0.8402
Echinococcus multilocularis	sex peptide receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0311	0.0311
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0001	0.0002
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0075	0.0607	0.1836
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0075	0.0607	0.1282
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0001	0.0001
Brugia malayi	Serotonin receptor	0.0075	0.0607	0.0961
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	g protein coupled receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0311	0.0942
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0001	0.0002
Schistosoma mansoni	acetolactate synthase	0.0476	0.4734	1
Brugia malayi	RE15519p	0.0075	0.0607	0.0961
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Echinococcus granulosus	neuropeptide receptor	0.0075	0.0607	0.0607
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0075	0.0607	0.0961
Schistosoma mansoni	neuropeptide F-like receptor	0.0075	0.0607	0.1282
Schistosoma mansoni	adenoreceptor	0.0075	0.0607	0.1282
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0311	0.1844
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0025	0.009	0.0535
Echinococcus granulosus	biogenic amine 5HT receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.018	0.1689	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Schistosoma mansoni	hypothetical protein	0.0171	0.1589	0.3358
Brugia malayi	sulfakinin receptor protein	0.0075	0.0607	0.0961
Brugia malayi	G protein-coupled receptor F59B2.13	0.0075	0.0607	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Brugia malayi	Dopamine receptor protein 1	0.0075	0.0607	0.0961
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0025	0.009	0.1335
Schistosoma mansoni	hypothetical protein	0.0075	0.0607	0.1282
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.0001	0.0004
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0558	0.5567	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0004
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0001	0.0007
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0075	0.0607	0.1282
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.1041	0.1869
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Schistosoma mansoni	amine GPCR	0.0075	0.0607	0.1282
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0075	0.0607	0.0607
Echinococcus granulosus	neuropeptide Y receptor	0.0075	0.0607	0.0607
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0001	0.5
Schistosoma mansoni	myosin xvIII	0.0075	0.0607	0.1282
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0854	0.1352
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.018	0.1689	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus granulosus	neuropeptide receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Schistosoma mansoni	hypothetical protein	0.0031	0.0159	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0311	0.1
Brugia malayi	Dopamine receptor protein 2	0.0075	0.0607	0.0961
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0025	0.009	0.029
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus granulosus	fmrfamide receptor	0.0075	0.0607	0.0607
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0075	0.0607	0.0607
Echinococcus granulosus	neuropeptide Y receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0558	0.5567	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0854	0.2584
Loa Loa (eye worm)	G-protein coupled receptor	0.0075	0.0607	0.1836
Echinococcus multilocularis	neuropeptide s receptor	0.0989	1	1
Brugia malayi	Thioredoxin reductase	0.0046	0.0311	0.0493
Loa Loa (eye worm)	neuropeptide F receptor	0.0075	0.0607	0.1836
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.092	0.1652
Echinococcus granulosus	GPCR family 2	0.0031	0.0159	0.0159
Echinococcus granulosus	neuropeptide FF receptor 2	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.067	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0025	0.009	0.009
Giardia lamblia	Pyruvate-flavodoxin oxidoreductase	0.0081	0.067	1
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0319	0.3116	1
Brugia malayi	N-terminal motif family protein	0.0184	0.173	0.2738
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0075	0.0607	0.0607
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0075	0.0607	0.0607
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Echinococcus multilocularis	fmrfamide receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	neuropeptide receptor	0.0075	0.0607	0.1282
Mycobacterium ulcerans	hypothetical protein	0.018	0.1689	0.3032
Plasmodium falciparum	glutathione reductase	0.0016	0.0001	0.0004
Brugia malayi	hypothetical protein	0.0075	0.0607	0.0961
Toxoplasma gondii	t-complex protein beta subunit	0.0025	0.009	0.2903
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.1041	0.1869
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0075	0.0607	0.1282
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0001	0.0007
Echinococcus multilocularis	serotonin receptor	0.0075	0.0607	0.0607
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0025	0.009	0.1335
Echinococcus granulosus	geminin	0.0171	0.1589	0.1589
Echinococcus multilocularis	neuropeptides capa receptor	0.0075	0.0607	0.0607
Echinococcus granulosus	neuropeptide receptor A26	0.0989	1	1
Echinococcus multilocularis	somatostatin receptor	0.0075	0.0607	0.0607
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0075	0.0607	0.1282
Echinococcus granulosus	rhodopsin orphan GPCR	0.0075	0.0607	0.0607
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0159	0.0159
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0001	0.0001
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0075	0.0607	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0607	0.1836
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0001	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 37 nM	Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay	ChEMBL.	21146986
EC50 (functional)	= 706 nM	Agonist activity at human recombinant 5HT2B receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay	ChEMBL.	21146986
EC50 (functional)	= 5165 nM	Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay	ChEMBL.	21146986
Emax (functional)	= 29 %	Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay relative to 5-HT	ChEMBL.	21146986
Emax (functional)	= 71 %	Agonist activity at human recombinant 5HT2B receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay relative to 5-HT	ChEMBL.	21146986
Emax (functional)	= 93 %	Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay relative to 5-HT	ChEMBL.	21146986
Inhibition (binding)	= 78 %	Inhibition of human ERG expressed in CHO cells at 10 uM by whole cell patch-clamp technique	ChEMBL.	21146986
permeability (ADMET)	= 10.3 10'-6 cm/s	Permeability from apical to basolateral side of human Caco2 cells	ChEMBL.	21146986

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: CHEMBL1643855

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1494044