TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 681.243 | Formula: C30H39ClN5O7S2-
H donors: 7 H acceptors: 7 LogP: 0.17 Rotable bonds: 8
Rule of 5 violations (Lipinski): 3
SMILES: O=C1CNC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C.[Cl-]
InChi: 1S/C30H39N5O7S2.ClH/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29;/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42);1H/p-1/t20-,21+,23+,24+;/m0./s1
InChiKey: RPXFYPJXANZTMT-YWQMVABISA-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
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0074	0.0083	0.0491
Onchocerca volvulus		0.0074	0.0083	0.0491
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	opsin-like receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0074	0.0083	0.0867
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0067	0.0071	0.0694
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0074	0.0083	0.0867
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	myosin xvIII	0.0074	0.0083	0.0867
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0655	0.0954	0.8179
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0081	0.0093	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.6682	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0074	0.0083	0.081
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0655	0.0954	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0063	0.0066	0.0692
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0074	0.0083	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	sex peptide receptor	0.0074	0.0083	0.0709
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Loa Loa (eye worm)	apoptosis regulator protein	0.0081	0.0093	0.0976
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0457
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Echinococcus granulosus	neuropeptide receptor	0.0074	0.0083	0.081
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	serotonin receptor	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	G protein-coupled receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide receptor	0.0074	0.0083	0.0867
Onchocerca volvulus		0.0074	0.0083	0.0491
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0014	0.0149
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Schistosoma mansoni	histamine h1 receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0074	0.0083	0.081
Echinococcus multilocularis	G protein coupled receptor 139	0.0074	0.0083	0.0709
Brugia malayi	neuropeptide F receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0067	0.0071	0.0608
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0029	0.0014	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Loa Loa (eye worm)	neuropeptide F receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0074	0.0083	0.0709
Echinococcus granulosus	g-protein coupled receptor	0.0074	0.0083	0.081
Echinococcus granulosus	g protein coupled receptor	0.0074	0.0083	0.081
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0396
Brugia malayi	putative neuropeptide receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0014	0.0149
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Onchocerca volvulus		0.0048	0.0044	0.0063
Echinococcus granulosus	tm gpcr rhodopsin	0.0074	0.0083	0.081
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0044	0.0044
Echinococcus granulosus	neuropeptide FF receptor 2	0.0074	0.0083	0.081
Echinococcus granulosus	tm gpcr rhodopsin	0.0699	0.1021	1
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0081	0.0093	0.0976
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0457
Onchocerca volvulus		0.0074	0.0083	0.0491
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	0.3869	0.5778	0.5768
Onchocerca volvulus		0.0074	0.0083	0.0491
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Chlamydia trachomatis	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	0.1975	0.2934	0.2917
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0048	0.0044	0.0044
Brugia malayi	FolC bifunctional protein	0.0655	0.0954	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0093	0.0976
Brugia malayi	Melatonin receptor type 1A	0.0074	0.0083	0.0867
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	neuropeptide Y receptor	0.0074	0.0083	0.0709
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0044	0.0044
Loa Loa (eye worm)	neuropeptide F receptor	0.0074	0.0083	0.0867
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0074	0.0083	0.0867
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0074	0.0083	0.0867
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus granulosus	neuropeptides capa receptor	0.0074	0.0083	0.081
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0044	0.0044
Echinococcus multilocularis	orexin receptor type 2	0.0074	0.0083	0.0709
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0025	0.0025
Mycobacterium ulcerans	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	0.1975	0.2934	0.2934
Onchocerca volvulus		0.0074	0.0083	0.0491
Echinococcus granulosus	sex peptide receptor	0.0074	0.0083	0.081
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0074	0.0083	0.0867
Brugia malayi	larval opioid receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0081	0.0093	0.0798
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0074	0.0083	0.0709
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Onchocerca volvulus		0.0074	0.0083	0.0491
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase	0.3869	0.5778	0.5778
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Onchocerca volvulus		0.0074	0.0083	0.0491
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0655	0.0954	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0074	0.0083	0.0709
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0074	0.0083	0.081
Echinococcus multilocularis	serotonin receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0074	0.0083	0.0709
Schistosoma mansoni	biogenic amine receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0265
Echinococcus granulosus	orexin receptor type 2	0.0074	0.0083	0.081
Brugia malayi	follicle stimulating hormone receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	neuropeptide Y receptor	0.0074	0.0083	0.081
Brugia malayi	sulfakinin receptor protein	0.0074	0.0083	0.0867
Mycobacterium ulcerans	UDP-N-acetylmuramyl tripeptide synthase	0.0655	0.0954	0.0954
Echinococcus multilocularis	neuropeptide Y receptor	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0067	0.0071	0.0743
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Chlamydia trachomatis	UDP-N-acetylmuramoylalanine--D-glutamate ligase	0.1975	0.2934	0.2917
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0655	0.0954	1
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.1975	0.2934	0.2934
Echinococcus multilocularis	dro:myosuppressin receptor	0.0074	0.0083	0.0709
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0074	0.0083	0.0867
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0457
Echinococcus granulosus	allatostatin A receptor	0.0074	0.0083	0.081
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0044	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0074	0.0083	0.0867
Loa Loa (eye worm)	TYRA-2 protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0044
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0074	0.0083	0.081
Echinococcus multilocularis	g protein coupled receptor	0.0074	0.0083	0.0709
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0081	0.0093	0.0913
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0074	0.0083	0.0709
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0074	0.0083	0.0709
Schistosoma mansoni	folylpolyglutamate synthase	0.0655	0.0954	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0067	0.0071	0.0743
Echinococcus multilocularis	neuropeptide receptor A26	0.0074	0.0083	0.0709
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0044	0.0044
Echinococcus granulosus	neuropeptides capa receptor	0.0074	0.0083	0.081
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0044	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	somatostatin receptor	0.0074	0.0083	0.0709
Onchocerca volvulus		0.0074	0.0083	0.0491
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0074	0.0083	0.081
Echinococcus granulosus	neuropeptide s receptor	0.0074	0.0083	0.081
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide F-like receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0014	0.0149
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0074	0.0083	0.0867
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0074	0.0083	0.0491
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0074	0.0083	0.0709
Echinococcus multilocularis	calpain family protein 1, d	0.0044	0.0038	0.0324
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	ORL1-like opioid receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	melatonin receptor type 1A	0.0074	0.0083	0.0867
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0074	0.0083	0.0867
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0044	0.0044
Echinococcus multilocularis	fmrfamide receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0074	0.0083	0.0709
Schistosoma mansoni	growth hormone secretagogue receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	amine GPCR	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0081	0.0093	0.0798
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide f receptor 76f	0.0074	0.0083	0.0867
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	0.3869	0.5778	0.4025
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0044	0.0044
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Onchocerca volvulus		0.0074	0.0083	0.0491
Echinococcus granulosus	neuropeptide receptor A26	0.0074	0.0083	0.081
Echinococcus multilocularis	neuropeptide receptor	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	g protein coupled receptor	0.0074	0.0083	0.0709
Schistosoma mansoni	hypothetical protein	0.0081	0.0093	0.0976
Echinococcus granulosus	neuropeptide receptor	0.0074	0.0083	0.081
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0797	0.1167	1
Echinococcus multilocularis	fmrfamide receptor	0.0074	0.0083	0.0709
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0699	0.1021	0.8749
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0074	0.0083	0.0709
Brugia malayi	AKH receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0081	0.0093	0.0913
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0655	0.0954	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0066	0.0692
Echinococcus multilocularis	neuropeptide receptor	0.0074	0.0083	0.0709
Mycobacterium tuberculosis	Possible ligase	0.0655	0.0954	0.0954
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0457
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	Serotonin receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	tm gpcr rhodopsin	0.0074	0.0083	0.081
Schistosoma mansoni	amine GPCR	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0655	0.0954	0.9348
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	G-protein coupled receptor	0.0074	0.0083	0.0867
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl pentapeptide synthase	0.6682	1	1
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	0.3869	0.5778	0.5778
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF)	0.6682	1	1
Echinococcus granulosus	fmrfamide receptor	0.0074	0.0083	0.081
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0457
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0074	0.0083	0.0867
Echinococcus granulosus	neuropeptide Y receptor	0.0074	0.0083	0.081
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE)	0.3869	0.5778	0.4025
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0265
Echinococcus granulosus	biogenic amine 5HT receptor	0.0074	0.0083	0.081
Echinococcus granulosus	rhodopsin orphan GPCR	0.0074	0.0083	0.081
Echinococcus granulosus	g protein coupled receptor	0.0074	0.0083	0.081
Onchocerca volvulus		0.0074	0.0083	0.0491
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.1975	0.2934	0.2934
Echinococcus multilocularis	neuropeptide s receptor	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Mycobacterium leprae	ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.6682	1	1
Schistosoma mansoni	apoptosis regulator bax	0.0081	0.0093	0.0976
Leishmania major	folylpolyglutamate synthetase	0.0655	0.0954	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0457
Brugia malayi	Dopamine receptor	0.0074	0.0083	0.0867
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0655	0.0954	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0074	0.0083	0.0709
Leishmania major	cytochrome p450-like protein	0.0029	0.0014	0.0149
Schistosoma mansoni	hypothetical protein	0.0081	0.0093	0.0976
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0048	0.0044	0.0044
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.6682	1	1
Mycobacterium leprae	possible ligase	0.0655	0.0954	0.0954
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0655	0.0954	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus granulosus	biogenic amine 5HT receptor	0.0074	0.0083	0.081
Loa Loa (eye worm)	FolC protein	0.0655	0.0954	1
Echinococcus granulosus	hypothetical protein	0.0074	0.0083	0.081
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0022	0.0022
Brugia malayi	calpain family protein 1	0.0063	0.0066	0.0692
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0074	0.0083	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0044	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0022	0.0022
Schistosoma mansoni	biogenic amine receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	opsin-like receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0074	0.0083	0.081
Brugia malayi	Dopamine receptor protein 1	0.0074	0.0083	0.0867
Echinococcus granulosus	dro:myosuppressin receptor	0.0074	0.0083	0.081
Echinococcus granulosus	somatostatin receptor	0.0074	0.0083	0.081
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0074	0.0083	0.0867
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0074	0.0083	0.081
Brugia malayi	neuropeptide F receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	opsin-like receptor	0.0074	0.0083	0.0867
Brugia malayi	calpain family protein 1	0.0063	0.0066	0.0692
Echinococcus granulosus	7TM GPCR rhodopsin	0.0074	0.0083	0.081
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	g-protein coupled receptor	0.0074	0.0083	0.0709
Onchocerca volvulus		0.0074	0.0083	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	GnHR receptor homolog	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	amine GPCR	0.0074	0.0083	0.0867
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0265
Echinococcus multilocularis	neuropeptides capa receptor	0.0074	0.0083	0.0709
Echinococcus granulosus	7tm_1 domain containing protein	0.0074	0.0083	0.081
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	g protein coupled receptor	0.0074	0.0083	0.0709
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0074	0.0083	0.0709
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0655	0.0954	0.8179
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.0025	0.0025
Loa Loa (eye worm)	G-protein coupled receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	amine GPCR	0.0074	0.0083	0.0867
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0074	0.0083	0.0709
Loa Loa (eye worm)	calpain family protein 1	0.0063	0.0066	0.0692
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0074	0.0083	0.081
Schistosoma mansoni	amine GPCR	0.0074	0.0083	0.0867
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0074	0.0083	0.0867
Echinococcus granulosus	G protein coupled receptor 139	0.0074	0.0083	0.081
Brugia malayi	G protein-coupled receptor F59B2.13	0.0074	0.0083	0.0867
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0014	0.0149
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0074	0.0083	0.0709
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0044
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0074	0.0083	0.0867
Onchocerca volvulus		0.0074	0.0083	0.0491
Brugia malayi	G-protein coupled receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus granulosus	calpain A	0.0067	0.0071	0.0694
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0457
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0457
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0014	0.0149
Onchocerca volvulus		0.0074	0.0083	0.0491
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.1975	0.2934	0.2934
Brugia malayi	RE15519p	0.0074	0.0083	0.0867
Schistosoma mansoni	biogenic amine receptor	0.0074	0.0083	0.0867
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0655	0.0954	0.9348
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0457
Onchocerca volvulus		0.0074	0.0083	0.0491
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0074	0.0083	0.081
Onchocerca volvulus		0.0074	0.0083	0.0491
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0074	0.0083	0.0867
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0014	0.0149
Echinococcus granulosus	serotonin receptor	0.0074	0.0083	0.081
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0655	0.0954	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0044	0.0044
Brugia malayi	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	adenoreceptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	G-protein coupled receptor	0.0074	0.0083	0.0867
Loa Loa (eye worm)	calpain family protein 1	0.0044	0.0038	0.0396
Echinococcus multilocularis	allatostatin A receptor	0.0074	0.0083	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Echinococcus multilocularis	calpain A	0.0067	0.0071	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Brugia malayi	Dopamine receptor protein 2	0.0074	0.0083	0.0867
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	0.3869	0.5778	0.5333
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl tripeptide synthase	0.1975	0.2934	0.2189
Schistosoma mansoni	hypothetical protein	0.0074	0.0083	0.0867
Schistosoma mansoni	neuropeptide receptor	0.0074	0.0083	0.0867
Schistosoma mansoni	hypothetical protein	0.0081	0.0093	0.0976
Brugia malayi	putative neuropeptide receptor NPR1	0.0074	0.0083	0.0867
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0074	0.0083	0.0867
Echinococcus granulosus	g protein coupled receptor	0.0074	0.0083	0.081
Onchocerca volvulus		0.0074	0.0083	0.0491
Onchocerca volvulus		0.0074	0.0083	0.0491
Brugia malayi	Serotonin receptor	0.0074	0.0083	0.0867
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0655	0.0954	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0066	0.0692
Schistosoma mansoni	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0867

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 5.2 nM	Concentration of the Compound that inhibits electrically-induced contractions of the mouse vas deferens by 50%	ChEMBL.	1323677
EC50 (functional)	= 18 nM	Concentration of the compound that inhibited PGE-stimulated cAMP formation by 50%, in NG108-15 cells.	ChEMBL.	1323677
Ki (binding)	= 7 nM	Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay	ChEMBL.	1323677
Ki (binding)	= 700 nM	Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay	ChEMBL.	1323677
Ratio (binding)	= 100	Ratio of the compound on opioid receptor mu (ki(nM)) to the opioid receptor delta (Ki(nM))	ChEMBL.	1323677

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: 262376

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 163932