TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 634.935 | Formula: C30H58N4O6S2
H donors: 2 H acceptors: 6 LogP: 7.16 Rotable bonds: 21
Rule of 5 violations (Lipinski): 2
SMILES: [O-]S(=O)(=O)C.[O-]S(=O)(=O)C.C[n+]1ccn(c1)CCCCCCCCCCCCCCCCCCCCn1cc[n+](c1)C
InChi: 1S/C28H52N4.2CH4O3S/c1-29-23-25-31(27-29)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-32-26-24-30(2)28-32;2*1-5(2,3)4/h23-28H,3-22H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2
InChiKey: PLAAEFXPNBTNMP-UHFFFAOYSA-L

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 Y receptor	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Brugia malayi	RE15519p	0.0046	0.823	0.823
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	neuropeptide receptor	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0014	0.0891	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0014	0.0891	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0046	0.823	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	amine GPCR	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0046	0.823	1
Brugia malayi	Serotonin receptor	0.0046	0.823	0.823
Echinococcus granulosus	tm gpcr rhodopsin	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Onchocerca volvulus		0.0046	0.823	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.5535	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.61	0.61
Echinococcus multilocularis	g-protein coupled receptor	0.0046	0.823	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	allatostatin A receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0014	0.0891	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.61	0.7413
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.2931	0.2931
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	neuropeptide f receptor 76f	0.0046	0.823	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0046	0.823	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.61	0.61
Echinococcus granulosus	neuropeptide receptor	0.0046	0.823	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	adenoreceptor	0.0046	0.823	1
Echinococcus granulosus	neuropeptide Y receptor	0.0046	0.823	1
Brugia malayi	Melatonin receptor type 1A	0.0046	0.823	0.823
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0046	0.823	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	G-protein coupled receptor	0.0046	0.823	0.823
Schistosoma mansoni	histamine h1 receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	G-protein coupled receptor	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.2931	0.2931
Schistosoma mansoni	biogenic amine receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0014	0.0891	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Echinococcus granulosus	neuropeptides capa receptor	0.0046	0.823	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.2931	0.2931
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0046	0.823	1
Echinococcus granulosus	serotonin receptor	0.0046	0.823	1
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Mycobacterium leprae	putative cytochrome p450	0.0014	0.0891	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	neuropeptide F receptor	0.0046	0.823	0.823
Echinococcus multilocularis	g protein coupled receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0014	0.0891	0.5
Schistosoma mansoni	amine GPCR	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis		0.0014	0.0891	0.1082
Schistosoma mansoni	neuropeptide receptor	0.0046	0.823	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0014	0.0891	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0046	0.823	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0046	0.823	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0046	0.823	0.823
Schistosoma mansoni	biogenic amine receptor	0.0046	0.823	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0046	0.823	0.823
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0046	0.823	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0046	0.823	0.823
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0046	0.823	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0046	0.823	0.823
Echinococcus granulosus	biogenic amine 5HT receptor	0.0046	0.823	1
Loa Loa (eye worm)	TYRA-2 protein	0.0046	0.823	0.823
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.6889	0.8371
Brugia malayi	ORL1-like opioid receptor	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0046	0.823	1
Leishmania major	cytochrome p450-like protein	0.0023	0.2931	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	Dopamine receptor protein 1	0.0046	0.823	0.823
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0046	0.823	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0046	0.823	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0014	0.0891	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0046	0.823	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0046	0.823	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0046	0.823	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0891	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	g protein coupled receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0014	0.0891	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0046	0.823	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0046	0.823	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	somatostatin receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0046	0.823	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0014	0.0891	0.5
Echinococcus multilocularis	sex peptide receptor	0.0046	0.823	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0046	0.823	0.823
Brugia malayi	Cytochrome P450 family protein	0.0023	0.2931	0.2931
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0014	0.0891	0.5
Brugia malayi	neuropeptide F receptor	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0014	0.0891	0.5
Schistosoma mansoni	myosin xvIII	0.0046	0.823	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	neuropeptide s receptor	0.0046	0.823	1
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	putative neuropeptide receptor	0.0046	0.823	0.823
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	neuropeptide F-like receptor	0.0046	0.823	1
Brugia malayi	Dopamine receptor protein 2	0.0046	0.823	0.823
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	7TM GPCR rhodopsin	0.0046	0.823	1
Schistosoma mansoni	neuropeptide receptor	0.0046	0.823	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0046	0.823	1
Brugia malayi	sulfakinin receptor protein	0.0046	0.823	0.823
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis	neuropeptide receptor	0.0046	0.823	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0046	0.823	0.823
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0046	0.823	0.823
Echinococcus multilocularis	neuropeptide receptor	0.0046	0.823	1
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0014	0.0891	0.5
Onchocerca volvulus		0.0046	0.823	0.5
Onchocerca volvulus		0.0046	0.823	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0046	0.823	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0046	0.823	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.61	0.7413
Echinococcus granulosus	g-protein coupled receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0046	0.823	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0014	0.0891	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0046	0.823	1
Echinococcus multilocularis	serotonin receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0014	0.0891	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0046	0.823	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0046	0.823	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0046	0.823	0.823
Brugia malayi	G protein-coupled receptor	0.0046	0.823	0.823
Echinococcus granulosus	neuropeptide receptor A26	0.0046	0.823	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0046	0.823	1
Schistosoma mansoni	neuropeptide receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	neuropeptide receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	neuropeptides capa receptor	0.0046	0.823	1
Brugia malayi	Cytochrome P450 family protein	0.0023	0.2931	0.2931
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.2931	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	Serotonin receptor	0.0046	0.823	0.823
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	hypothetical protein	0.0046	0.823	1
Brugia malayi	follicle stimulating hormone receptor	0.0046	0.823	0.823
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0014	0.0891	0.5
Brugia malayi	cytochrome P450	0.0014	0.0891	0.0891
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0046	0.823	1
Schistosoma mansoni	opsin-like receptor	0.0046	0.823	1
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.6889	0.8371
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.2931	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0046	0.823	0.823
Echinococcus granulosus	g protein coupled receptor	0.0046	0.823	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Echinococcus multilocularis	serotonin receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	cytochrome P450	0.0014	0.0891	0.1082
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0014	0.0891	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0014	0.0891	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0046	0.823	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Echinococcus granulosus	fmrfamide receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	rhodopsin orphan GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	G-protein coupled receptor	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	neuropeptide FF receptor 2	0.0046	0.823	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0046	0.823	0.823
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0046	0.823	1
Echinococcus granulosus	cytochrome P450 2K1	0.0014	0.0891	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	g protein coupled receptor	0.0046	0.823	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0046	0.823	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0046	0.823	0.823
Echinococcus granulosus	hypothetical protein	0.0046	0.823	1
Echinococcus granulosus	neuropeptide s receptor	0.0046	0.823	1
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.2931	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0046	0.823	1
Echinococcus multilocularis	fmrfamide receptor	0.0046	0.823	1
Echinococcus granulosus	somatostatin receptor	0.0046	0.823	1
Echinococcus granulosus	sex peptide receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	cytochrome P450	0.0014	0.0891	0.0891
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0046	0.823	0.5
Echinococcus granulosus	orexin receptor type 2	0.0046	0.823	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0014	0.0891	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0046	0.823	1
Schistosoma mansoni	opsin-like receptor	0.0046	0.823	1
Brugia malayi	neuropeptide F receptor	0.0046	0.823	0.823
Echinococcus granulosus	tm gpcr rhodopsin	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	hypothetical protein	0.0046	0.823	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0046	0.823	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0046	0.823	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0046	0.823	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0014	0.0891	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0046	0.823	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Schistosoma mansoni	biogenic amine receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	hypothetical protein	0.0046	0.823	0.823
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0046	0.823	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0046	0.823	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Loa Loa (eye worm)	hypothetical protein	0.0032	0.4966	0.4966
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0014	0.0891	0.5
Schistosoma mansoni	amine GPCR	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0014	0.0891	0.5
Echinococcus granulosus	g protein coupled receptor	0.0046	0.823	1
Echinococcus granulosus	G protein coupled receptor 139	0.0046	0.823	1
Brugia malayi	AKH receptor	0.0046	0.823	0.823
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0891	0.0891
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0046	0.823	1
Onchocerca volvulus		0.0046	0.823	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Onchocerca volvulus		0.0046	0.823	0.5
Schistosoma mansoni	amine GPCR	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	larval opioid receptor	0.0046	0.823	0.823
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0046	0.823	1
Echinococcus granulosus	neuropeptide Y receptor	0.0046	0.823	1
Schistosoma mansoni	hypothetical protein	0.0046	0.823	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0046	0.823	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0014	0.0891	0.5
Schistosoma mansoni	amine GPCR	0.0046	0.823	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.5535	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.2931	1
Schistosoma mansoni	hypothetical protein	0.0046	0.823	1
Schistosoma mansoni	opsin-like receptor	0.0046	0.823	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.823	0.823
Brugia malayi	GnHR receptor homolog	0.0046	0.823	0.823
Brugia malayi	Dopamine receptor	0.0046	0.823	0.823

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.42 mM	Inhibition of human recombinant soluble His-tagged beta3-GalT1 expressed in insect cells using GlcNAcbeta-Bn as substrate after 1 hr	ChEMBL.	23375091
Inhibition (binding)	< 1 %	Inhibition of human GNT2 GalNAc-transferase using GnMan3-octyl as substrate at 0.5 mM after 1 hr in presence of phosphatidylcholine	ChEMBL.	23375091
Inhibition (binding)	< 1 %	Inhibition of human GNT1 using Man3-octyl as substrate at 0.5 mM after 1 hr in presence of phosphatidylcholine	ChEMBL.	23375091
Inhibition (binding)	< 1 %	Inhibition of human C1GalT GlcNAc-transferase using GlcNAcalpha-Bn as substrate at 0.5 mM after 1 hr in presence of phosphatidylcholine	ChEMBL.	23375091
Inhibition (binding)	= 40.7 %	Inhibition of bovine milk beta4-GalT1 using GlcNAcbeta-Bn as substrate at 0.5 mM after 1 hr relative to control	ChEMBL.	23375091
Inhibition (binding)	= 40.7 %	Inhibition of human recombinant soluble His-tagged beta4-GalT1 expressed in Escherichia coli BL21 using GlcNAcbeta-Bn as substrate at 0.5 mM after 1 hr relative to control	ChEMBL.	23375091
Inhibition (binding)	= 79.2 %	Inhibition of human recombinant soluble His-tagged beta3-GalT5 expressed in insect cells using GlcNAcbeta-Bn as substrate at 0.5 mM after 1 hr relative to control	ChEMBL.	23375091
Inhibition (binding)	= 80 %	Inhibition of human B3GnT6 using GalNAcalpha-Bn as substrate at 0.5 mM after 1 hr in presence of phosphatidylcholine	ChEMBL.	23375091
Inhibition (binding)	= 100 %	Inhibition of human C2GnT1 using Galbeta3GalNAcalpha-Bn as substrate at 0.5 mM after 1 hr in presence of phosphatidylcholine	ChEMBL.	23375091

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: CHEMBL2323430

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1725034