TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 648.41 | Formula: C28H18Cl4N4O2S2
H donors: 2 H acceptors: 2 LogP: 8.36 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc(c(c1)Cl)/C=N\NC(=O)c1ccccc1SSc1ccccc1C(=O)N/N=C\c1ccc(cc1Cl)Cl
InChi: 1S/C28H18Cl4N4O2S2/c29-19-11-9-17(23(31)13-19)15-33-35-27(37)21-5-1-3-7-25(21)39-40-26-8-4-2-6-22(26)28(38)36-34-16-18-10-12-20(30)14-24(18)32/h1-16H,(H,35,37)(H,36,38)/b33-15-,34-16-
InChiKey: SUXMNCJNEVPTAT-IPYSUTSPSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Onchocerca volvulus		0.014	0.32	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	neuropeptide receptor	0.014	0.32	0.4039
Onchocerca volvulus	Neuropeptide F receptor homolog	0.014	0.32	0.5
Schistosoma mansoni	opsin-like receptor	0.014	0.32	1
Brugia malayi	GnHR receptor homolog	0.014	0.32	0.4101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Loa Loa (eye worm)	neuropeptide F receptor	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	neuropeptide F receptor	0.014	0.32	0.4101
Echinococcus granulosus	somatostatin receptor	0.014	0.32	0.4039
Brugia malayi	putative neuropeptide receptor	0.014	0.32	0.4101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Onchocerca volvulus		0.014	0.32	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	dro:myosuppressin receptor	0.014	0.32	0.4039
Echinococcus multilocularis	serotonin receptor	0.014	0.32	0.4039
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0295	0.7804	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.014	0.32	0.3677
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.014	0.32	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus granulosus	7TM GPCR rhodopsin	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Dopamine receptor	0.014	0.32	0.4101
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.014	0.32	0.4039
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.014	0.32	0.4101
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.014	0.32	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.014	0.32	1
Echinococcus granulosus	g protein coupled receptor	0.014	0.32	0.4039
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.014	0.32	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.014	0.32	0.4039
Echinococcus multilocularis	g protein coupled receptor	0.014	0.32	0.4039
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0524	0.5
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0369	1	1
Echinococcus granulosus	sex peptide receptor	0.014	0.32	0.4039
Echinococcus multilocularis	fmrfamide receptor	0.014	0.32	0.4039
Echinococcus granulosus	allatostatin A receptor	0.014	0.32	0.4039
Brugia malayi	RE15519p	0.014	0.32	0.4101
Echinococcus granulosus	neuropeptide Y receptor	0.014	0.32	0.4039
Schistosoma mansoni	hypothetical protein	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.014	0.32	0.5
Echinococcus multilocularis	orexin receptor type 2	0.014	0.32	0.4039
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Dopamine receptor protein 1	0.014	0.32	0.4101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Schistosoma mansoni	opsin-like receptor	0.014	0.32	1
Brugia malayi	G-protein coupled receptor	0.014	0.32	0.4101
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.014	0.32	0.4039
Schistosoma mansoni	neuropeptide f receptor 76f	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	tachykinin peptides receptor 99D	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	hypothetical protein	0.0035	0.0082	0.0105
Schistosoma mansoni	amine GPCR	0.014	0.32	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.014	0.32	0.3677
Onchocerca volvulus		0.014	0.32	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Schistosoma mansoni	amine GPCR	0.014	0.32	1
Echinococcus granulosus	neuropeptide receptor A26	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.014	0.32	0.4101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.014	0.32	0.4101
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0369	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Muscleblind-like protein	0.0295	0.7804	1
Echinococcus granulosus	fmrfamide receptor	0.014	0.32	0.4039
Schistosoma mansoni	amine GPCR	0.014	0.32	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.014	0.32	1
Echinococcus multilocularis	neuropeptide Y receptor	0.014	0.32	0.4039
Echinococcus granulosus	7tm_1 domain containing protein	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Onchocerca volvulus		0.014	0.32	0.5
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Entamoeba histolytica	hypothetical protein	0.0035	0.0082	0.5
Echinococcus granulosus	g protein coupled receptor	0.014	0.32	0.4039
Onchocerca volvulus		0.014	0.32	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.014	0.32	1
Schistosoma mansoni	amine GPCR	0.014	0.32	1
Echinococcus multilocularis	neuropeptide receptor A26	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus multilocularis	neuropeptide s receptor	0.014	0.32	0.4039
Echinococcus granulosus	biogenic amine 5HT receptor	0.014	0.32	0.4039
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.014	0.32	0.4039
Onchocerca volvulus		0.014	0.32	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.014	0.32	1
Schistosoma mansoni	neuropeptide receptor	0.014	0.32	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.014	0.32	1
Schistosoma mansoni	histamine h1 receptor	0.014	0.32	1
Echinococcus multilocularis	fmrfamide receptor	0.014	0.32	0.4039
Schistosoma mansoni	adenoreceptor	0.014	0.32	1
Echinococcus granulosus	tm gpcr rhodopsin	0.014	0.32	0.4039
Echinococcus granulosus	g-protein coupled receptor	0.014	0.32	0.4039
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0369	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.014	0.32	0.3677
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus granulosus	neuropeptide receptor	0.014	0.32	0.4039
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0369	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	follicle stimulating hormone receptor	0.014	0.32	0.4101
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0524	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Schistosoma mansoni	hypothetical protein	0.014	0.32	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.014	0.32	0.4039
Echinococcus granulosus	biogenic amine 5HT receptor	0.014	0.32	0.4039
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	ORL1-like opioid receptor	0.014	0.32	0.4101
Echinococcus granulosus	serotonin receptor	0.014	0.32	0.4039
Schistosoma mansoni	biogenic amine (5HT) receptor	0.014	0.32	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus multilocularis	muscleblind protein	0.0295	0.7804	1
Echinococcus multilocularis	g protein coupled receptor	0.014	0.32	0.4039
Brugia malayi	G-protein coupled receptor	0.014	0.32	0.4101
Schistosoma mansoni	neuropeptide receptor	0.014	0.32	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.014	0.32	0.4039
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.014	0.32	0.4039
Echinococcus multilocularis	neuropeptides capa receptor	0.014	0.32	0.4039
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.014	0.32	1
Schistosoma mansoni	amine GPCR	0.014	0.32	1
Brugia malayi	neuropeptide F receptor	0.014	0.32	0.4101
Brugia malayi	putative neuropeptide receptor NPR1	0.014	0.32	0.4101
Loa Loa (eye worm)	G-protein coupled receptor	0.014	0.32	0.3677
Onchocerca volvulus		0.014	0.32	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.014	0.32	1
Schistosoma mansoni	hypothetical protein	0.014	0.32	1
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Brugia malayi	Serotonin receptor	0.014	0.32	0.4101
Leishmania major	hypothetical protein, conserved	0.005	0.0524	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	neuropeptide FF receptor 2	0.014	0.32	0.4039
Echinococcus multilocularis	neuropeptide Y receptor	0.014	0.32	0.4039
Echinococcus granulosus	neuropeptide receptor	0.014	0.32	0.4039
Brugia malayi	sulfakinin receptor protein	0.014	0.32	0.4101
Echinococcus multilocularis	somatostatin receptor	0.014	0.32	0.4039
Schistosoma mansoni	alpha-1 adrenergic receptor	0.014	0.32	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0369	1	0.5
Brugia malayi	AKH receptor	0.014	0.32	0.4101
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	g protein coupled receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	sex peptide receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0295	0.7804	1
Loa Loa (eye worm)	TYRA-2 protein	0.014	0.32	0.3677
Echinococcus granulosus	neuropeptides capa receptor	0.014	0.32	0.4039
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.014	0.32	0.4039
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0369	1	0.5
Onchocerca volvulus		0.014	0.32	0.5
Brugia malayi	Dopamine receptor protein 2	0.014	0.32	0.4101
Echinococcus multilocularis	serotonin receptor	0.014	0.32	0.4039
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Onchocerca volvulus		0.014	0.32	0.5
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus granulosus	orexin receptor type 2	0.014	0.32	0.4039
Echinococcus multilocularis	G protein coupled receptor 139	0.014	0.32	0.4039
Schistosoma mansoni	neuropeptide receptor	0.014	0.32	1
Echinococcus granulosus	hypothetical protein	0.014	0.32	0.4039
Echinococcus granulosus	peptide allatostatin:somatostatin	0.014	0.32	0.4039
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0524	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Melatonin receptor type 1A	0.014	0.32	0.4101
Trichomonas vaginalis	hypothetical protein	0.0369	1	0.5
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.014	0.32	0.4039
Echinococcus granulosus	G protein coupled receptor 139	0.014	0.32	0.4039
Brugia malayi	larval opioid receptor	0.014	0.32	0.4101
Echinococcus granulosus	muscleblind protein	0.0295	0.7804	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Schistosoma mansoni	biogenic amine receptor	0.014	0.32	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.014	0.32	1
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Schistosoma mansoni	biogenic amine receptor	0.014	0.32	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.014	0.32	0.3677
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	G protein-coupled receptor	0.014	0.32	0.4101
Schistosoma mansoni	neuropeptide F-like receptor	0.014	0.32	1
Echinococcus multilocularis	muscleblind protein 1	0.0295	0.7804	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.014	0.32	0.4039
Echinococcus multilocularis	neuropeptides capa receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	G protein-coupled receptor F59B2.13	0.014	0.32	0.4101
Echinococcus granulosus	neuropeptides capa receptor	0.014	0.32	0.4039
Brugia malayi	Serotonin receptor	0.014	0.32	0.4101
Brugia malayi	hypothetical protein	0.014	0.32	0.4101
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.014	0.32	0.3677
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.014	0.32	1
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0369	1	1
Brugia malayi	hypothetical protein	0.005	0.0524	0.0671
Schistosoma mansoni	hypothetical protein	0.014	0.32	1
Echinococcus granulosus	neuropeptide s receptor	0.014	0.32	0.4039
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.014	0.32	0.4039
Brugia malayi	Tachykinin-like peptides receptor 99D	0.014	0.32	0.4101
Entamoeba histolytica	hypothetical protein	0.0035	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	alpha 1A adrenergic receptor	0.014	0.32	0.4039
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus granulosus	neuropeptide Y receptor	0.014	0.32	0.4039
Echinococcus granulosus	tm gpcr rhodopsin	0.014	0.32	0.4039
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.014	0.32	0.4039
Onchocerca volvulus		0.014	0.32	0.5
Schistosoma mansoni	biogenic amine receptor	0.014	0.32	1
Schistosoma mansoni	opsin-like receptor	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.014	0.32	0.4101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.014	0.32	0.4039
Echinococcus multilocularis	neuropeptide receptor	0.014	0.32	0.4039
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.014	0.32	0.4039
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.014	0.32	0.4039
Echinococcus granulosus	g protein coupled receptor	0.014	0.32	0.4039
Schistosoma mansoni	biogenic amine (5HT) receptor	0.014	0.32	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.014	0.32	0.4039
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.014	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Echinococcus multilocularis	allatostatin A receptor	0.014	0.32	0.4039
Schistosoma mansoni	myosin xvIII	0.014	0.32	1
Loa Loa (eye worm)	neuropeptide F receptor	0.014	0.32	0.3677
Schistosoma mansoni	neuropeptide F-like receptor	0.014	0.32	1
Schistosoma mansoni	neuropeptide receptor	0.014	0.32	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.014	0.32	0.4039
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.014	0.32	0.4039
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.014	0.32	0.4101
Onchocerca volvulus		0.014	0.32	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.014	0.32	0.4039
Loa Loa (eye worm)	hypothetical protein	0.014	0.32	0.3677
Onchocerca volvulus		0.014	0.32	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Compound was tested for inhibition of HIV-1 replication in human T-cell by using XTT assay; Active	ChEMBL.	8809151
Decrease in RFU (functional)	= 31.3 %	Tested against zinc finger of the recombinant HIV-1 p7NC protein by using Trp residue for fluorometric measurements	ChEMBL.	8809151
EC50 (functional)	= 12.6	Inhibition of HIV-1 replication in human T-cell by using XTT assay.	ChEMBL.	8809151
EC50 (functional)	= 3.5 uM	Effective concentration required for 50% production of p24 production.	ChEMBL.	8809151
IC50 (functional)	> 200	Inhibition of HIV-1 replication in a proliferating human T-cell line assayed using an XTT assay.	ChEMBL.	8809151
IC50 (functional)	> 100 uM	Tested for cytoprotection against production of HIV-1 p24.	ChEMBL.	8809151
increase in RFU (functional)	= 1.6 %	Tested against zinc finger of the recombinant HIV-1 p7NC toluenesulfonamide) residue for fluorometric measurements	ChEMBL.	8809151
TI50 (functional)	> 15.9	Inhibition of HIV-1 replication in human T-cell by using XTT assay.	ChEMBL.	8809151
TI50 (functional)	> 28.6 uM	Inhibitory concentration required for 50% production of p24 production.	ChEMBL.	8809151

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: CHEMBL420725

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 209749