TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 612.097 | Formula: C27H36ClF4N2O5S-
H donors: 0 H acceptors: 4 LogP: 6.91 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCCN([C@@H]1CCc2c(C1)c(ccc2F)OS(=O)(=O)C(F)(F)F)CCCCN1C(=O)CC2(CC1=O)CCCC2.[Cl-]
InChi: 1S/C27H36F4N2O5S.ClH/c1-2-13-32(14-5-6-15-33-24(34)17-26(18-25(33)35)11-3-4-12-26)19-7-8-20-21(16-19)23(10-9-22(20)28)38-39(36,37)27(29,30)31;/h9-10,19H,2-8,11-18H2,1H3;1H/p-1/t19-;/m1./s1
InChiKey: LAKIXXTVPISXQR-FSRHSHDFSA-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
Echinococcus multilocularis	neuropeptide s receptor	0.0052	0.0067	0.0067
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0036	0.0035
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0052	0.0067	0.0067
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0068	0.0068
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0057	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.4655	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.0201	0.0199
Echinococcus granulosus	G protein coupled receptor 139	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Plasmodium vivax	adenosine/AMP deaminase, putative	0.2172	0.4642	0.4642
Echinococcus multilocularis	sex peptide receptor	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0126	0.0228	0.0226
Onchocerca volvulus		0.0052	0.0067	0.0067
Trypanosoma cruzi	AMP deaminase, putative	0.2172	0.4642	1
Leishmania major	hypothetical protein, conserved	0.1695	0.3612	0.3611
Schistosoma mansoni	AMP deaminase	0.2172	0.4642	0.4642
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0095	0.0095
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0036	0.0036
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus granulosus	7TM GPCR rhodopsin	0.0052	0.0067	0.0067
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0052	0.0067	0.0067
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	fmrfamide receptor	0.0052	0.0067	0.0067
Trypanosoma brucei	AMP deaminase, putative	0.2172	0.4642	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0052	0.0067	0.0067
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0052	0.0067	0.0067
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0091	0.009
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	glutathione reductase	0.005	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	AMP deaminase 2	0.2172	0.4642	0.4642
Loa Loa (eye worm)	hypothetical protein	0.1695	0.3612	0.3612
Echinococcus granulosus	tm gpcr rhodopsin	0.0052	0.0067	0.0067
Echinococcus granulosus	tm gpcr rhodopsin	0.0052	0.0067	0.0067
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0052	0.0067	0.0067
Leishmania major	adenosine monophosphate deaminase, putative,AMP deaminase, putative	0.2172	0.4642	0.4641
Entamoeba histolytica	AMP deaminase, putative	0.2172	0.4642	0.4641
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Mycobacterium ulcerans	lipase LipD	0.0037	0.0036	0.0035
Onchocerca volvulus		0.0037	0.0036	0.0036
Plasmodium falciparum	glutathione reductase	0.005	0.0063	0.0063
Schistosoma mansoni	neuropeptide receptor	0.0052	0.0067	0.0067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0036	0.0035
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0068	0.0066
Schistosoma mansoni	amine GPCR	0.0052	0.0067	0.0067
Brugia malayi	G-protein coupled receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	neuropeptide F-like receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0063	0.0063
Echinococcus granulosus	sex peptide receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0037	0.0036	0.0036
Echinococcus multilocularis	somatostatin receptor	0.0052	0.0067	0.0067
Brugia malayi	GnHR receptor homolog	0.0052	0.0067	0.0067
Schistosoma mansoni	ap endonuclease	0.0021	0.0002	0.0002
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0036	0.0035
Echinococcus granulosus	serotonin receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	AMP deaminase	0.2172	0.4642	0.4642
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.0201	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.4655	1	1
Toxoplasma gondii	thioredoxin reductase	0.005	0.0063	0.0062
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0002	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0052	0.0067	0.0067
Loa Loa (eye worm)	G-protein coupled receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0052	0.0067	0.0067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0036	0.0035
Leishmania major	AMP deaminase, putative	0.2172	0.4642	0.4641
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	biogenic amine 5HT receptor	0.0199	0.0384	0.0384
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	Dopamine receptor	0.0052	0.0067	0.0067
Trypanosoma brucei	AMP deaminase, putative	0.2172	0.4642	1
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus multilocularis	adenosine deaminase	0.4655	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0052	0.0067	0.0067
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0384	0.0384
Echinococcus granulosus	dro:myosuppressin receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0037	0.0037
Echinococcus granulosus	neuropeptides capa receptor	0.0052	0.0067	0.0067
Plasmodium falciparum	adenosine deaminase	0.4655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0036	0.0036
Brugia malayi	adenosine monophosphate deaminase	0.2172	0.4642	0.4642
Onchocerca volvulus		0.0052	0.0067	0.0067
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0063	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	g-protein coupled receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	neuropeptide receptor A26	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0091	0.0091
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.4655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0091	0.009
Schistosoma mansoni	hypothetical protein	0.0023	0.0006	0.0006
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.296	0.6343	0.6343
Brugia malayi	Dopamine receptor protein 2	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0036	0.0035
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.4655	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0052	0.0067	0.0067
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0091	0.0091
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0091	0.009
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0063	0.0063
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0052	0.0067	0.0067
Schistosoma mansoni	amine GPCR	0.0052	0.0067	0.0067
Brugia malayi	beta-lactamase family protein	0.0037	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0477	0.0985	0.0985
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	neuropeptide receptor	0.0052	0.0067	0.0067
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0095	0.0202
Brugia malayi	hypothetical protein	0.0033	0.0028	0.0028
Echinococcus granulosus	adenosine deaminase	0.4655	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0036	0.0035
Entamoeba histolytica	adenosine deaminase, putative	0.4655	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	putative neuropeptide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.047	0.0469
Brugia malayi	ORL1-like opioid receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0095	0.0095
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Echinococcus granulosus	neuropeptides capa receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	somatostatin receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	neuropeptides capa receptor	0.0052	0.0067	0.0067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0067	0.0067
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0002	0.0002
Leishmania major	AMP deaminase, putative,adenosine monophosphate deaminase-like protein	0.2172	0.4642	0.4641
Onchocerca volvulus	Adenosine deaminase homolog	0.4655	1	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Toxoplasma gondii	AMP deaminase	0.2172	0.4642	0.4641
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0036	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Schistosoma mansoni	neuropeptide receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0063	0.0063
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0052	0.0067	0.0067
Echinococcus multilocularis	G protein coupled receptor 139	0.0052	0.0067	0.0067
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0036	0.0035
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	myosin xvIII	0.0052	0.0067	0.0067
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0036	0.0075
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	melatonin receptor type 1A	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	g protein coupled receptor	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0036	0.0035
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0052	0.0067	0.0067
Echinococcus granulosus	tm gpcr rhodopsin	0.0052	0.0067	0.0067
Brugia malayi	MH2 domain containing protein	0.0256	0.0507	0.0507
Echinococcus multilocularis	orexin receptor type 2	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0036	0.0035
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0036	0.0036
Echinococcus granulosus	allatostatin A receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	amine GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Brugia malayi	beta-lactamase	0.0037	0.0036	0.0036
Echinococcus granulosus	g protein coupled receptor	0.0052	0.0067	0.0067
Mycobacterium ulcerans	adenosine deaminase	0.4655	1	1
Trypanosoma brucei	trypanothione reductase	0.005	0.0063	0.0133
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0052	0.0067	0.0067
Entamoeba histolytica	adenosine deaminase, putative	0.4655	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0126	0.0228	0.0226
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Trypanosoma cruzi	AMP deaminase, putative	0.2172	0.4642	1
Treponema pallidum	adenosine deaminase	0.4655	1	1
Schistosoma mansoni	biogenic amine receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	neuropeptide s receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0052	0.0067	0.0067
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0052	0.0067	0.0067
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0838	0.1765	0.1765
Brugia malayi	G protein-coupled receptor F59B2.13	0.0052	0.0067	0.0067
Brugia malayi	AKH receptor	0.0052	0.0067	0.0067
Brugia malayi	G protein-coupled receptor	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0095	0.0094
Echinococcus granulosus	neuropeptide FF receptor 2	0.0052	0.0067	0.0067
Plasmodium vivax	glutathione reductase, putative	0.005	0.0063	0.0063
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0199	0.0384	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	neuropeptide F receptor	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0036	0.0035
Entamoeba histolytica	AMP deaminase, putative	0.2172	0.4642	0.4641
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0068	0.0068
Schistosoma mansoni	biogenic amine receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0032	0.0032
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0095	0.0202
Trichomonas vaginalis	adenosine deaminase, putative	0.4655	1	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0067	0.0067
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0036	0.0036
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0052	0.0067	0.0067
Brugia malayi	RE15519p	0.0052	0.0067	0.0067
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0067	0.0067
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	adenosine deaminase-related	0.4655	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	adenoreceptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	neuropeptide F receptor	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Schistosoma mansoni	histamine h1 receptor	0.0052	0.0067	0.0067
Onchocerca volvulus	AMP deaminase 2 homolog	0.2172	0.4642	0.4642
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0068	0.0068
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.2172	0.4642	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0036	0.0035
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0052	0.0067	0.0067
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0091	0.009
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0052	0.0067	0.0067
Brugia malayi	Serotonin receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0057	0.0079	0.0079
Schistosoma mansoni	biogenic amine receptor	0.0052	0.0067	0.0067
Leishmania major	hypothetical protein, conserved	0.0037	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0384	0.0384
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0036	0.0035
Echinococcus multilocularis	allatostatin A receptor	0.0052	0.0067	0.0067
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0091	0.009
Onchocerca volvulus		0.0052	0.0067	0.0067
Schistosoma mansoni	neuropeptide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	G-protein coupled receptor	0.0052	0.0067	0.0067
Trypanosoma cruzi	AMP deaminase, putative	0.2172	0.4642	1
Echinococcus multilocularis	serotonin receptor	0.0199	0.0384	0.0384
Schistosoma mansoni	neuropeptide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0095	0.0095
Brugia malayi	neuropeptide F receptor	0.0052	0.0067	0.0067
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0091	0.009
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0006	0.0006
Echinococcus granulosus	g-protein coupled receptor	0.0052	0.0067	0.0067
Leishmania major	adenine aminohydrolase	0.4655	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	ap endonuclease	0.0021	0.0002	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0036	0.0075
Brugia malayi	putative neuropeptide receptor NPR1	0.0052	0.0067	0.0067
Onchocerca volvulus		0.1695	0.3612	0.3612
Loa Loa (eye worm)	neuropeptide F receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0052	0.0067	0.0067
Leishmania major	hypothetical protein, conserved	0.0052	0.0068	0.0066
Schistosoma mansoni	opsin-like receptor	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.0228	0.0226
Echinococcus multilocularis	g protein coupled receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.296	0.6343	0.6343
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0052	0.0067	0.0067
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0036	0.0035
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.0201	0.0199
Trypanosoma cruzi	AMP deaminase, putative	0.2172	0.4642	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.0201	0.0199
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0002	0.0002
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0052	0.0067	0.0067
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0052	0.0067	0.0067
Trichomonas vaginalis	adenosine deaminase, putative	0.4655	1	1
Plasmodium falciparum	thioredoxin reductase	0.005	0.0063	0.0063
Echinococcus granulosus	neuropeptide receptor	0.0052	0.0067	0.0067
Brugia malayi	Dopamine receptor protein 1	0.0052	0.0067	0.0067
Echinococcus granulosus	AMP deaminase 2	0.2172	0.4642	0.4642
Onchocerca volvulus		0.0037	0.0036	0.0036
Brugia malayi	follicle stimulating hormone receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	glutathione reductase	0.005	0.0063	0.0063
Brugia malayi	Melatonin receptor type 1A	0.0052	0.0067	0.0067
Schistosoma mansoni	lipoxygenase	0.0057	0.0079	0.0079
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus granulosus	microtubule associated protein 2	0.0676	0.1415	0.1415
Trypanosoma brucei	AMP deaminase, putative	0.2172	0.4642	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Loa Loa (eye worm)	TYRA-2 protein	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0068	0.0143
Echinococcus granulosus	orexin receptor type 2	0.0052	0.0067	0.0067
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.2172	0.4642	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	amine GPCR	0.0052	0.0067	0.0067
Echinococcus multilocularis	fmrfamide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus multilocularis	microtubule associated protein 2	0.0676	0.1415	0.1415
Toxoplasma gondii	ABC1 family protein	0.0037	0.0036	0.0035
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.296	0.6343	0.6343
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0035	0.0032	0.0032
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0052	0.0067	0.0067
Schistosoma mansoni	neuropeptide F-like receptor	0.0052	0.0067	0.0067
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0068	0.0068
Loa Loa (eye worm)	MH2 domain-containing protein	0.0256	0.0507	0.0507
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0036	0.0035
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0037	0.0037
Echinococcus multilocularis	neuropeptide receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0095	0.0095
Echinococcus granulosus	neuropeptide receptor A26	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0036	0.0036
Brugia malayi	Serotonin receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0006	0.0006
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0052	0.0067	0.0067
Echinococcus granulosus	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Echinococcus granulosus	biogenic amine 5HT receptor	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0036	0.0036
Schistosoma mansoni	microtubule-associated protein tau	0.0676	0.1415	0.1415
Schistosoma mansoni	opsin-like receptor	0.0052	0.0067	0.0067
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0068	0.0143
Echinococcus granulosus	g protein coupled receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0002	0.0002
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0002	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	adenosine deaminase	0.4655	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	fmrfamide receptor	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0002	0.0002
Echinococcus granulosus	neuropeptide Y receptor	0.0052	0.0067	0.0067
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0052	0.0067	0.0067
Schistosoma mansoni	neuropeptide f receptor 76f	0.0052	0.0067	0.0067
Brugia malayi	beta-lactamase family protein	0.0037	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.296	0.6343	0.6343
Echinococcus granulosus	neuropeptide Y receptor	0.0052	0.0067	0.0067
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0036	0.0035
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Plasmodium falciparum	AMP deaminase, putative	0.2172	0.4642	0.4642
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0068	0.0068
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0052	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus multilocularis	neuropeptide Y receptor	0.0052	0.0067	0.0067
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0095	0.0094
Plasmodium vivax	adenosine deaminase, putative	0.4655	1	1
Trypanosoma cruzi	AMP deaminase 2, putative	0.1695	0.3612	0.7782
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0052	0.0067	0.0067
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0068	0.0143
Onchocerca volvulus		0.0052	0.0067	0.0067
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0063	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.0067
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0002	0.0002
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	Thioredoxin reductase	0.005	0.0063	0.0063
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0036	0.0035
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	opsin-like receptor	0.0052	0.0067	0.0067
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0032	0.0032
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Trichomonas vaginalis	esterase, putative	0.0037	0.0036	0.0035
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0052	0.0067	0.0067
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0052	0.0067	0.0067
Brugia malayi	larval opioid receptor	0.0052	0.0067	0.0067
Leishmania major	trypanothione reductase	0.005	0.0063	0.0062
Onchocerca volvulus		0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.0201	0.0199
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	sulfakinin receptor protein	0.0052	0.0067	0.0067
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.2172	0.4642	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0256	0.0507	0.0507
Schistosoma mansoni	hypothetical protein	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable reductase	0.0113	0.0201	0.0199
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0095	0.0202
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0036	0.0036
Schistosoma mansoni	amine GPCR	0.0052	0.0067	0.0067
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0063	0.0063
Onchocerca volvulus		0.0052	0.0067	0.0067
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0113	0.0201	0.0165
Echinococcus multilocularis	g protein coupled receptor	0.0052	0.0067	0.0067
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.4655	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Brugia malayi	hypothetical protein	0.0052	0.0067	0.0067
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0067	0.0067
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0052	0.0067	0.0067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0052	0.0067	0.0067
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0091	0.0091
Echinococcus granulosus	7tm_1 domain containing protein	0.0052	0.0067	0.0067
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0126	0.0228	0.0192
Trypanosoma cruzi	AMP deaminase, putative	0.2172	0.4642	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0052	0.0067	0.0067
Echinococcus multilocularis	serotonin receptor	0.0199	0.0384	0.0384
Leishmania major	AMP deaminase, putative,amp deaminase-like protein	0.2172	0.4642	0.4641
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0002	0.0002

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 51 %	Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 1 uM+ 50 uM 5-HT.	ChEMBL.	8831769
Inhibition (functional)	= 55 %	Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 10 uM	ChEMBL.	8831769
Inhibition (functional)	= 68 %	Effect of the compound on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 0.1 uM + 1 uM 5-HT.	ChEMBL.	8831769
Inhibition (functional)	= 73 %	Effect of the compound on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 1 uM	ChEMBL.	8831769
Inhibition (functional)	= 98 %	Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 0.05 uM	ChEMBL.	8831769
Ki (binding)	= 0.9 nM	Binding affinity of the compound against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]-8-OH-DPAT as radioligand	ChEMBL.	8831769

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: 316377

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 225818