TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.92 | Formula: C21H21ClFN2O2S-
H donors: 0 H acceptors: 2 LogP: 4.63 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)onc2C1CCN(CC1)CC1CC(=O)c2c(C1)scc2.[Cl-]
InChi: 1S/C21H21FN2O2S.ClH/c22-15-1-2-17-19(11-15)26-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-27-20(16)10-13;/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2;1H/p-1
InChiKey: JUBWCORHVMSKOI-UHFFFAOYSA-M

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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0227	0.1812	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0195	0.1535	1
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0028	0.0095	0.0095
Leishmania major	cathepsin L-like protease	0.0063	0.0401	0.2212
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0019	0.0028
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0166	0.0422
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0019	0.0049
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0018	0.0097
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0019	0.0049
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0285	0.157
Leishmania major	isocitrate dehydrogenase, putative	0.0028	0.0095	0.0523
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0019	0.0049
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0166	1
Echinococcus multilocularis	serotonin receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0028	0.0095	0.0241
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0166	0.0244
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0019	0.0019	0.0049
Brugia malayi	G protein-coupled receptor F59B2.13	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	neuropeptide F receptor	0.0019	0.0019	0.0019
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0019	0.0019	0.0028
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0022	0.0049	0.0126
Echinococcus granulosus	neuropeptide FF receptor 2	0.0019	0.0019	0.0049
Brugia malayi	RNA binding protein	0.0473	0.3925	0.3925
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0239	0.0239
Brugia malayi	GnHR receptor homolog	0.0019	0.0019	0.0019
Onchocerca volvulus		0.0019	0.0019	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	orexin receptor type 2	0.0019	0.0019	0.0049
Brugia malayi	ORL1-like opioid receptor	0.0019	0.0019	0.0019
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Echinococcus granulosus	7TM GPCR rhodopsin	0.0019	0.0019	0.0049
Schistosoma mansoni	opsin-like receptor	0.0019	0.0019	0.0028
Toxoplasma gondii	isocitrate dehydrogenase	0.0227	0.1812	1
Schistosoma mansoni	tar DNA-binding protein	0.0473	0.3925	0.578
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0401	0.2212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0018	0.0045
Echinococcus multilocularis	isocitrate dehydrogenase	0.0227	0.1812	0.4617
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Onchocerca volvulus		0.0019	0.0019	0.0125
Schistosoma mansoni	opsin-like receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0019	0.0019	0.0049
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0227	0.1812	0.4617
Brugia malayi	Melatonin receptor type 1A	0.0019	0.0019	0.0019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Schistosoma mansoni	myosin xvIII	0.0019	0.0019	0.0028
Echinococcus granulosus	sex peptide receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0019	0.0019	0.0028
Brugia malayi	hypothetical protein	0.0032	0.0134	0.0134
Schistosoma mansoni	hypothetical protein	0.0019	0.0019	0.0028
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0373	0.3067	0.7813
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0166	0.0422
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0028	0.0095	0.0241
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	tar DNA-binding protein	0.0473	0.3925	0.578
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0019	0.0019	0.0019
Echinococcus multilocularis	neuropeptide receptor A26	0.0019	0.0019	0.0049
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Onchocerca volvulus		0.0019	0.0019	0.0125
Onchocerca volvulus		0.0019	0.0019	0.0125
Schistosoma mansoni	growth hormone secretagogue receptor	0.0019	0.0019	0.0028
Echinococcus granulosus	fmrfamide receptor	0.0019	0.0019	0.0049
Echinococcus multilocularis	G protein coupled receptor 139	0.0019	0.0019	0.0049
Brugia malayi	RE15519p	0.0019	0.0019	0.0019
Schistosoma mansoni	histamine h1 receptor	0.0019	0.0019	0.0028
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	dro:myosuppressin receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	hypothetical protein	0.0373	0.3067	0.4516
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	TAR-binding protein	0.0473	0.3925	0.3925
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0018	0.1061
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0401	0.2212
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0019	0.0049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	neuropeptide receptor	0.0019	0.0019	0.0049
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0227	0.1812	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0022	0.0049	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0164	0.1272	0.1873
Loa Loa (eye worm)	hypothetical protein	0.1179	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0286	0.1494
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0018	0.1061
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0018	0.1061
Schistosoma mansoni	hypothetical protein	0.0019	0.0019	0.0028
Brugia malayi	Probable isocitrate dehydrogenase	0.0028	0.0095	0.0095
Brugia malayi	putative neuropeptide receptor	0.0019	0.0019	0.0019
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	allatostatin A receptor	0.0019	0.0019	0.0049
Onchocerca volvulus		0.0019	0.0019	0.0125
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0227	0.1812	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0019	0.0019
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0227	0.1812	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0166	0.0422
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0019	0.0049
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0166	0.0244
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0019	0.0028
Brugia malayi	G-protein coupled receptor	0.0019	0.0019	0.0019
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0018	0.0097
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0227	0.1812	0.2669
Onchocerca volvulus		0.0019	0.0019	0.0125
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	Probable isocitrate dehydrogenase	0.0028	0.0095	0.0095
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0028	0.0095	0.5719
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0019	0.0019	0.0049
Echinococcus multilocularis	geminin	0.0164	0.1272	0.3241
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0019	0.0019	0.0019
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0166	0.0166
Schistosoma mansoni	neuropeptide f receptor 76f	0.0019	0.0019	0.0028
Echinococcus granulosus	orexin receptor type 2	0.0019	0.0019	0.0049
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Leishmania major	hypothetical protein, conserved	0.005	0.0286	0.1576
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0239	0.0239
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0019	0.0019	0.0028
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1535	0.1535
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0166	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Onchocerca volvulus		0.0019	0.0019	0.0125
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0019	0.0019	0.0049
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0227	0.1812	0.4617
Toxoplasma gondii	exonuclease III APE	0.0019	0.0018	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	amine GPCR	0.0019	0.0019	0.0028
Schistosoma mansoni	tar DNA-binding protein	0.0473	0.3925	0.578
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0164	0.1272	0.1873
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0028	0.0095	0.0095
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0019	0.0019
Loa Loa (eye worm)	RNA binding protein	0.0473	0.3925	0.3925
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0019	0.0019	0.0049
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0227	0.1812	0.4617
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	tar DNA binding protein	0.0473	0.3925	1
Loa Loa (eye worm)	hypothetical protein	0.0806	0.6791	0.6791
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Brugia malayi	putative neuropeptide receptor NPR1	0.0019	0.0019	0.0019
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0019	0.0049
Onchocerca volvulus		0.0019	0.0019	0.0125
Schistosoma mansoni	hypothetical protein	0.0373	0.3067	0.4516
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0019	0.0019	0.0028
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0019	0.0049
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0286	0.1576
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0019	0.0019	0.0049
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0019	0.0049
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0227	0.1812	1
Echinococcus multilocularis	g-protein coupled receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0373	0.3067	0.7813
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0019	0.0019	0.0049
Brugia malayi	AKH receptor	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0166	0.0914
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0018	0.0045
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0166	0.0422
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0286	0.1576
Brugia malayi	Dopamine receptor	0.0019	0.0019	0.0019
Echinococcus multilocularis	serotonin receptor	0.0019	0.0019	0.0049
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0019	0.0049
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0028	0.0095	0.5719
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0227	0.1812	0.4617
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0019	0.0049
Echinococcus granulosus	G protein coupled receptor 139	0.0019	0.0019	0.0049
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0239	0.0608
Echinococcus granulosus	7tm_1 domain containing protein	0.0019	0.0019	0.0049
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0019	0.0019	0.0049
Toxoplasma gondii	isocitrate dehydrogenase	0.0227	0.1812	1
Schistosoma mansoni	amine GPCR	0.0019	0.0019	0.0028
Brugia malayi	G-protein coupled receptor	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	allatostatin A receptor	0.0019	0.0019	0.0049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0019	0.0019	0.0125
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0019	0.0019	0.0049
Schistosoma mansoni	hypothetical protein	0.0022	0.0049	0.0073
Leishmania major	cathepsin L-like protease	0.0063	0.0401	0.2212
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0019	0.0019	0.0019
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0373	0.3067	0.7813
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0028	0.0095	0.0241
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0019	0.0049
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0019	0.0019	0.0028
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0018	0.0097
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0227	0.1812	1
Echinococcus granulosus	g-protein coupled receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	hypothetical protein	0.0806	0.6791	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0019	0.0049
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.0286	0.1576
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	hypothetical protein	0.0019	0.0019	0.0049
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0019	0.0019	0.0125
Loa Loa (eye worm)	hypothetical protein	0.005	0.0286	0.0286
Onchocerca volvulus		0.0019	0.0019	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0352
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Echinococcus granulosus	neuropeptide receptor A26	0.0019	0.0019	0.0049
Brugia malayi	isocitrate dehydrogenase	0.0227	0.1812	0.1812
Echinococcus granulosus	geminin	0.0164	0.1272	0.3241
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0019	0.0019	0.0028
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0019	0.0019
Echinococcus granulosus	tar DNA binding protein	0.0473	0.3925	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0401	0.2212
Brugia malayi	hypothetical protein	0.005	0.0286	0.0286
Onchocerca volvulus		0.0019	0.0019	0.0125
Brugia malayi	larval opioid receptor	0.0019	0.0019	0.0019
Schistosoma mansoni	ap endonuclease	0.0019	0.0018	0.0026
Onchocerca volvulus		0.0019	0.0019	0.0125
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0227	0.1812	1
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	serotonin receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0166	0.0422
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0227	0.1812	0.1812
Echinococcus granulosus	neuropeptide receptor	0.0019	0.0019	0.0049
Onchocerca volvulus		0.0019	0.0019	0.0125
Echinococcus multilocularis	somatostatin receptor	0.0019	0.0019	0.0049
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0018	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0373	0.3067	0.7813
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0019	0.0019	0.0049
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0019	0.0019	0.0019
Schistosoma mansoni	opsin-like receptor	0.0019	0.0019	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0286	0.1576
Echinococcus granulosus	neuropeptide s receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Onchocerca volvulus		0.0019	0.0019	0.0125
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	TAR-binding protein	0.0473	0.3925	0.3925
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0239	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0028	0.0095	0.014
Brugia malayi	Dopamine receptor protein 2	0.0019	0.0019	0.0019
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	TYRA-2 protein	0.0019	0.0019	0.0019
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0227	0.1812	0.4617
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0019	0.0028
Brugia malayi	N-terminal motif family protein	0.0195	0.1535	0.1535
Brugia malayi	Serotonin receptor	0.0574	0.4799	0.4799
Loa Loa (eye worm)	hypothetical protein	0.0373	0.3067	0.3067
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0019	0.0049
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.0019	0.0049
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1179	1	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0166	0.0166
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0019	0.0019
Brugia malayi	G protein-coupled receptor	0.0019	0.0019	0.0019
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0019	0.0019	0.0049
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Schistosoma mansoni	tar DNA-binding protein	0.0473	0.3925	0.578
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0018	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0018	0.0018
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0166	1
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0019	0.0028
Schistosoma mansoni	isocitrate dehydrogenase	0.0028	0.0095	0.014
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0028	0.0095	0.0095
Onchocerca volvulus		0.0019	0.0019	0.0125
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0019	0.0019	0.0049
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0019	0.0019	0.0019
Brugia malayi	sulfakinin receptor protein	0.0019	0.0019	0.0019
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0019	0.0019	0.0028
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0166	0.0825
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0166	1
Schistosoma mansoni	hypothetical protein	0.0373	0.3067	0.4516
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0028	0.0095	0.0095
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0019	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0019	0.0028
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	tar DNA-binding protein	0.0473	0.3925	0.578
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	unc-13 (munc13)	0.0028	0.0095	0.014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0019	0.0028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Schistosoma mansoni	amine GPCR	0.0019	0.0019	0.0028
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0166	0.0914
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.0019	0.0049
Brugia malayi	Serotonin receptor	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0166	0.0914
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0019	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0373	0.3067	0.4516
Brugia malayi	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.0019	0.0028
Echinococcus multilocularis	neuropeptide s receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0019	0.0049
Schistosoma mansoni	adenoreceptor	0.0019	0.0019	0.0028
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0373	0.3067	0.3067
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0019	0.0028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0352
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0018	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0019	0.0019	0.0019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1179	1	1
Mycobacterium tuberculosis	Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH)	0.0028	0.0095	0.043
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	Dopamine receptor protein 1	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0019	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0028	0.0095	0.0241
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0286	0.1576
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.0286	0.1576
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0019	0.0028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0401	0.2136
Echinococcus multilocularis	GPCR, family 2	0.0373	0.3067	0.7813
Schistosoma mansoni	hypothetical protein	0.0019	0.0019	0.0028
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0019	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0095	0.0095
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0028	0.0095	1
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.0028	0.0095	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0373	0.3067	0.3067
Brugia malayi	Isocitrate dehydrogenase	0.0227	0.1812	0.1812
Onchocerca volvulus		0.0019	0.0019	0.0125
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0019	0.0049
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0166	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0019	0.0019	0.0049
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0354	0.1952
Brugia malayi	neuropeptide F receptor	0.0019	0.0019	0.0019
Echinococcus granulosus	somatostatin receptor	0.0019	0.0019	0.0049
Schistosoma mansoni	ap endonuclease	0.0019	0.0018	0.0026
Onchocerca volvulus		0.0019	0.0019	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Onchocerca volvulus		0.0019	0.0019	0.0125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0239	0.0608
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0166	0.0422
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0239	0.0608
Brugia malayi	follicle stimulating hormone receptor	0.0019	0.0019	0.0019
Schistosoma mansoni	amine GPCR	0.0019	0.0019	0.0028
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0019	0.0019	0.0019
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0473	0.3925	0.3925
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0019	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0019	0.0019	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0028	0.0095	0.5
Echinococcus multilocularis	sex peptide receptor	0.0019	0.0019	0.0049
Brugia malayi	latrophilin 2 splice variant baaae	0.0806	0.6791	0.6791
Leishmania major	cathepsin L-like protease	0.0063	0.0401	0.2212
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0019	0.0049
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0227	0.1812	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	Latrophilin receptor protein 2	0.0373	0.3067	0.3067
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0019	0.0049
Schistosoma mansoni	amine GPCR	0.0019	0.0019	0.0028
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0019	0.0049
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0401	0.2212
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0019	0.0019
Brugia malayi	RNA recognition motif domain containing protein	0.0473	0.3925	0.3925
Echinococcus granulosus	GPCR family 2	0.0373	0.3067	0.7813

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.46 mg kg-1	In vivo Antipsychotic activity was quantified by inhibition of apomorphine-induced climbing(CL 95%) by mice	ChEMBL.	10425088
ED50 (functional)	> 8 mg kg-1	In vivo Antipsychotic activity was quantified by induction of catalepsy in mice	ChEMBL.	10425088
Log Ki (binding)	= 6.69	In vitro ability to displace [3H]-mesulergine binding from 5-hydroxytryptamine 2C receptor from bovine choroid plexus.	ChEMBL.	10425088
Log Ki (binding)	= 6.89	In vitro ability to displace [3H]-SCH-23,390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.	ChEMBL.	10425088
Log Ki (binding)	= 7.26	In vitro ability to displace [3H]-spiperone binding from dopamine receptor D2 in rat striatal membrane.	ChEMBL.	10425088
Log Ki (binding)	= 8.33	In vitro ability to displace [3H]-ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.	ChEMBL.	10425088
pA2 (functional)	= 9.13	pA2 value was evaluated by measuring the inhibition of the 5-HT-induced contraction of rat aorta.	ChEMBL.	10425088
Ratio (binding)	= 1.15	Ratio of pKi of 5-HT2A to that of D2 receptor	ChEMBL.	10425088
Ratio (binding)	= 1.24	Ratio of pKi of 5-HT2A to that of 5-HT2C receptor	ChEMBL.	10425088

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: 253134

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 155798