TDR Targets

Basic information

Technical information

TDR Targets ID: 81690
Name: 2-amino-6-(2-methoxyphenyl)sulfonylbenzonitri le
MW: 288.322 | Formula: C14H12N2O3S
H donors: 1 H acceptors: 3 LogP: 2.28 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1S(=O)(=O)c1cccc(c1C#N)N
InChi: 1S/C14H12N2O3S/c1-19-12-6-2-3-7-14(12)20(17,18)13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3
InChiKey: LMXGSICOOVWHTI-UHFFFAOYSA-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

2-amino-6-(2-methoxyphenyl)sulfonyl-benzonitrile
2-azanyl-6-(2-methoxyphenyl)sulfonyl-benzenecarbonitrile
AIDS104877
2-Amino-6-arylthiobenzonitrile deriv. 3b
2-Amino-6-(2-methoxy-benzenesulfonyl)-benzonitrile
AIDS-104877

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	Starlite/ChEMBL	References
Human immunodeficiency virus 1	Reverse transcriptase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma congolense	Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative	Reverse transcriptase	259 aa	237 aa	29.1 %
Candida albicans	ReverseTranscriptase similar to fruit fly Tom element	Reverse transcriptase	259 aa	244 aa	27.9 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	208 aa	26.4 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Candida albicans	hypothetical protein	Reverse transcriptase	259 aa	223 aa	29.1 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	226 aa	24.3 %
Candida albicans	polyprotein of retrotransposon Tca8	Reverse transcriptase	259 aa	238 aa	26.5 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	245 aa	25.7 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	222 aa	22.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0021	0.0077	0.1266
Trypanosoma brucei	glycerol uptake protein, putative	0.009	0.0528	0.2633
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Plasmodium vivax	aspartyl protease, putative	0.009	0.0528	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.009	0.0528	0.0884
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.009	0.0528	0.0528
Trypanosoma cruzi	glycerol uptake protein, putative	0.009	0.0528	1
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.009	0.0528	0.0884
Leishmania major	glycerol uptake protein, putative	0.009	0.0528	1
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0064	0.0359	0.0359
Brugia malayi	MBOAT family protein	0.009	0.0528	0.7393
Onchocerca volvulus		0.0021	0.0077	0.1266
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.009	0.0528	0.0528
Loa Loa (eye worm)	TYRA-2 protein	0.0021	0.0077	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0021	0.0077	0.0129
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0153	0.0252
Giardia lamblia	Ribonuclease H	0.0027	0.0113	0.5
Brugia malayi	MBOAT family protein	0.009	0.0528	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	tumor necrosis factor receptor related	0.0064	0.0359	0.0602
Echinococcus granulosus	fmrfamide receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0021	0.0077	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0528	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0021	0.0077	0.0077
Echinococcus multilocularis	orexin receptor type 2	0.0021	0.0077	0.0077
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.009	0.0528	0.5
Brugia malayi	RE15519p	0.0021	0.0077	0.1077
Schistosoma mansoni	opsin-like receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0021	0.0077	0.0129
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0021	0.0077	0.0077
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0021	0.0077	0.1266
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0027	0.0113	0.5
Brugia malayi	RNase H family protein	0.0027	0.0113	0.1587
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0074	0.0124
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0012	0.0019	0.0019
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.009	0.0528	0.0528
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0036	0.0175	0.0293
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	amine GPCR	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0021	0.0077	0.1266
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0036	0.0175	0.3164
Brugia malayi	hypothetical protein	0.0011	0.0012	0.0162
Trypanosoma cruzi	GUP1, putative	0.009	0.0528	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0118	0.0714	0.1195
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.009	0.0528	0.0528
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.009	0.0528	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Leishmania major	glycerol uptake protein, putative	0.009	0.0528	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0074	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus granulosus	g-protein coupled receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0077	0.0129
Brugia malayi	Serotonin receptor	0.0021	0.0077	0.1077
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	sex peptide receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	myosin xvIII	0.0021	0.0077	0.0129
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0012	0.0019	0.0032
Onchocerca volvulus	Ribonuclease H1 homolog	0.0027	0.0113	0.1971
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	somatostatin receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0077	0.0129
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0074	0.1036
Loa Loa (eye worm)	hypothetical protein	0.092	0.5972	1
Brugia malayi	larval opioid receptor	0.0021	0.0077	0.1077
Schistosoma mansoni	opsin-like receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0077	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1534	1	1
Plasmodium falciparum	plasmepsin X	0.009	0.0528	1
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.009	0.0528	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0011	0.0012	0.0019
Echinococcus multilocularis	allatostatin A receptor	0.0021	0.0077	0.0077
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0021	0.0077	0.1077
Onchocerca volvulus		0.0021	0.0074	0.1209
Brugia malayi	Hhat protein	0.009	0.0528	0.7393
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0021	0.0077	0.1077
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0021	0.0077	0.0129
Schistosoma mansoni	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.009	0.0528	0.0884
Brugia malayi	diacylglycerol acyltransferase	0.009	0.0528	0.7393
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0118	0.0714	0.0714
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0074	0.0124
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0012	0.0019	0.0019
Brugia malayi	RNase H family protein	0.0027	0.0113	0.1587
Leishmania major	glycerol uptake protein, putative	0.009	0.0528	1
Onchocerca volvulus		0.0021	0.0077	0.1266
Brugia malayi	Pepsin A precursor	0.0011	0.0012	0.0162
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0021	0.0077	0.0129
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0021	0.0077	0.0077
Brugia malayi	Serotonin receptor	0.0021	0.0077	0.1077
Echinococcus granulosus	ribonuclease H1	0.0027	0.0113	0.0113
Onchocerca volvulus		0.0036	0.0175	0.3164
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0021	0.0077	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0077	0.0077
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0036	0.0175	0.3164
Brugia malayi	Melatonin receptor type 1A	0.0021	0.0077	0.1077
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Trichomonas vaginalis	transmembrane protein nessy, putative	0.009	0.0528	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Schistosoma mansoni	cathepsin D (A01 family)	0.0103	0.0615	0.1029
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0528	1
Onchocerca volvulus		0.0021	0.0077	0.1266
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.009	0.0528	0.9987
Echinococcus granulosus	myosin light chain kinase smooth muscle	0.0235	0.1481	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.009	0.0528	0.0884
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0021	0.0077	0.0077
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0064	0.0359	0.0359
Onchocerca volvulus		0.0021	0.0077	0.1266
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0021	0.0077	0.0129
Onchocerca volvulus		0.009	0.0528	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.009	0.0528	0.0528
Schistosoma mansoni	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Loa Loa (eye worm)	MBOAT family protein	0.009	0.0528	0.0884
Trypanosoma cruzi	GUP1, putative	0.009	0.0528	1
Brugia malayi	LBP/BPI	0.0015	0.0039	0.055
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Trypanosoma brucei	RNA helicase, putative	0.0267	0.1687	1
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0011	0.0012	0.0162
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0021	0.0077	0.0129
Toxoplasma gondii	aspartyl protease ASP3	0.009	0.0528	0.1266
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.009	0.0528	0.1265
Onchocerca volvulus		0.0021	0.0077	0.1266
Echinococcus granulosus	somatostatin receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.009	0.0528	0.0884
Brugia malayi	RNase H family protein	0.0027	0.0113	0.1587
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0118	0.0714	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0021	0.0077	0.0129
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0036	0.0175	0.2449
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0021	0.0077	0.1077
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0021	0.0077	0.0077
Echinococcus multilocularis	myosin light chain kinase, smooth muscle	0.0235	0.1481	0.1481
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.009	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Brugia malayi	Dopamine receptor	0.0021	0.0077	0.1077
Schistosoma mansoni	neuropeptide f receptor 76f	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	ribonuclease H1	0.0027	0.0113	0.0113
Schistosoma mansoni	hypothetical protein	0.0267	0.1687	0.2826
Leishmania major	glycerol uptake protein, putative	0.009	0.0528	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0039	0.0066
Brugia malayi	putative neuropeptide receptor	0.0021	0.0077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0074	0.0124
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0633	0.4093	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	zinc finger protein	0.009	0.0528	0.0884
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0113	0.019
Schistosoma mansoni	cathepsin D (A01 family)	0.0103	0.0615	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	G protein coupled receptor 139	0.0021	0.0077	0.0077
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.009	0.0528	0.0528
Onchocerca volvulus		0.0036	0.0175	0.3164
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Trichomonas vaginalis	porcupine, putative	0.009	0.0528	1
Schistosoma mansoni	amine GPCR	0.0021	0.0077	0.0129
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0064	0.0359	0.0359
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0021	0.0077	0.1077
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.083	0.5383	0.9013
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.009	0.0528	0.0528
Brugia malayi	GnHR receptor homolog	0.0021	0.0077	0.1077
Trypanosoma brucei	glycerol uptake protein, putative	0.009	0.0528	0.2633
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0011	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0021	0.0077	0.1266
Onchocerca volvulus		0.0015	0.0039	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	MBOAT family protein	0.009	0.0528	0.7393
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus granulosus	o acyltransferase membrane bound domain	0.009	0.0528	0.0528
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Trypanosoma cruzi	glycerol uptake protein, putative	0.009	0.0528	1
Schistosoma mansoni	amine GPCR	0.0021	0.0077	0.0129
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.009	0.0528	0.0884
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0019
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0118	0.0714	0.0714
Onchocerca volvulus		0.0021	0.0077	0.1266
Entamoeba histolytica	vacuolar protein sorting 26	0.009	0.0528	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0021	0.0077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus granulosus	neuropeptide receptor A26	0.0021	0.0077	0.0077
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	adenoreceptor	0.0021	0.0077	0.0129
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	memapsin-2 (A01 family)	0.0011	0.0012	0.0019
Brugia malayi	hypothetical protein	0.0021	0.0074	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0019
Echinococcus granulosus	G protein coupled receptor 139	0.0021	0.0077	0.0077
Leishmania major	hypothetical protein, conserved	0.009	0.0528	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Toxoplasma gondii	ribonuclease HI protein	0.0027	0.0113	0.0249
Onchocerca volvulus		0.0021	0.0077	0.1266
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	amine GPCR	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0039	0.0066
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0021	0.0077	0.0077
Schistosoma mansoni	histamine h1 receptor	0.0021	0.0077	0.0129
Brugia malayi	Dopamine receptor protein 2	0.0021	0.0077	0.1077
Echinococcus granulosus	o acyltransferase membrane bound domain	0.009	0.0528	0.0528
Plasmodium vivax	aspartyl protease, putative	0.009	0.0528	1
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0113	0.019
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Onchocerca volvulus		0.0021	0.0077	0.1266
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hhat protein	0.009	0.0528	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0074	0.0124
Brugia malayi	MBOAT family protein	0.009	0.0528	0.7393
Treponema pallidum	alginate O-acetylation protein (algI)	0.009	0.0528	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Plasmodium falciparum	plasmepsin IX	0.009	0.0528	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Brugia malayi	G protein-coupled receptor	0.0021	0.0077	0.1077
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	serotonin receptor	0.0021	0.0077	0.0077
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0118	0.0714	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0528	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Trypanosoma brucei	ingi protein (ORF1)	0.0033	0.0153	0.0252
Brugia malayi	ORL1-like opioid receptor	0.0021	0.0077	0.1077
Onchocerca volvulus		0.0036	0.0175	0.3164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0118	0.0714	0.0714
Brugia malayi	putative neuropeptide receptor NPR1	0.0021	0.0077	0.1077
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0021	0.0077	0.0077
Onchocerca volvulus		0.0036	0.0175	0.3164
Toxoplasma gondii	hypothetical protein	0.009	0.0528	0.1265
Schistosoma mansoni	neuropeptide F-like receptor	0.0021	0.0077	0.0129
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.009	0.0528	0.9987
Entamoeba histolytica	hypothetical protein, conserved	0.009	0.0528	0.5
Loa Loa (eye worm)	MBOAT family protein	0.009	0.0528	0.0884
Echinococcus granulosus	sterol O acyltransferase 1	0.092	0.5972	0.5972
Brugia malayi	G-protein coupled receptor	0.0021	0.0077	0.1077
Brugia malayi	aspartic protease BmAsp-1, identical	0.0011	0.0012	0.0162
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0012	0.0019	0.0019
Echinococcus multilocularis	sterol O acyltransferase 1	0.092	0.5972	0.5972
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0021	0.0074	0.1209
Brugia malayi	hypothetical protein	0.0011	0.0012	0.0162
Onchocerca volvulus		0.0021	0.0077	0.1266
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.009	0.0528	0.0884
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0021	0.0077	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0077	0.0077
Loa Loa (eye worm)	melatonin receptor type 1A	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Onchocerca volvulus		0.0021	0.0077	0.1266
Echinococcus granulosus	serotonin receptor	0.0021	0.0077	0.0077
Trypanosoma brucei	ingi protein (ORF1)	0.0033	0.0153	0.0252
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0118	0.0714	0.0714
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0077	0.0129
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0077	0.0077
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.009	0.0528	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.009	0.0528	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0077	0.0077
Schistosoma mansoni	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0011	0.0012	0.0012
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0036	0.0175	0.2449
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0021	0.0077	0.1077
Brugia malayi	G-protein coupled receptor	0.0021	0.0077	0.1077
Trypanosoma brucei	unspecified product	0.0033	0.0153	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.009	0.0528	0.0528
Echinococcus multilocularis	neuropeptide receptor A26	0.0021	0.0077	0.0077
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hhat protein	0.009	0.0528	0.0884
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.009	0.0528	0.0884
Schistosoma mansoni	growth hormone secretagogue receptor	0.0021	0.0077	0.0129
Leishmania major	glycerol uptake protein, putative	0.009	0.0528	1
Brugia malayi	Dopamine receptor protein 1	0.0021	0.0077	0.1077
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0113	0.019
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0036	0.0175	0.2449
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0528	1
Echinococcus multilocularis	serine:threonine protein kinase	0.0235	0.1481	0.1481
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0074	0.1036
Echinococcus multilocularis	sex peptide receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0077	0.0129
Brugia malayi	aspartic protease BmAsp-2, identical	0.0011	0.0012	0.0162
Loa Loa (eye worm)	aspartyl protease 6	0.0011	0.0012	0.0019
Echinococcus multilocularis	g-protein coupled receptor	0.0021	0.0077	0.0077
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0039	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0033	0.0153	0.0252
Brugia malayi	hypothetical protein	0.0021	0.0074	0.1036
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0039	0.0066
Brugia malayi	MBOAT family protein	0.009	0.0528	0.7393
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0021	0.0077	0.1266
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0039	0.0537
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.009	0.0528	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0074	0.0124
Echinococcus granulosus	neuropeptide FF receptor 2	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0077	0.0129
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Onchocerca volvulus		0.0021	0.0077	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Echinococcus multilocularis	neuropeptide s receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	7tm_1 domain containing protein	0.0021	0.0077	0.0077
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Schistosoma mansoni	opsin-like receptor	0.0021	0.0077	0.0129
Echinococcus granulosus	dro:myosuppressin receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	sulfakinin receptor protein	0.0021	0.0077	0.1077
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.009	0.0528	0.0528
Loa Loa (eye worm)	MBOAT family protein	0.009	0.0528	0.0884
Onchocerca volvulus		0.0036	0.0175	0.3164
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.009	0.0528	0.0528
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.009	0.0528	0.0528
Trichomonas vaginalis	ribonuclease H1, putative	0.0027	0.0113	0.1971
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0077	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0019
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0077	0.0077
Entamoeba histolytica	hypothetical protein	0.009	0.0528	0.5
Echinococcus granulosus	hypothetical protein	0.0021	0.0077	0.0077
Echinococcus granulosus	serine:threonine protein kinase	0.0235	0.1481	0.1481
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0064	0.0359	0.0359
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0074	0.1036
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Echinococcus granulosus	neuropeptide s receptor	0.0021	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0129
Brugia malayi	neuropeptide F receptor	0.0021	0.0077	0.1077
Echinococcus granulosus	orexin receptor type 2	0.0021	0.0077	0.0077
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0011	0.0012	0.0019
Echinococcus granulosus	allatostatin A receptor	0.0021	0.0077	0.0077
Schistosoma mansoni	sterol O-acyltransferase 1	0.092	0.5972	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0077	0.0077
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.009	0.0528	0.0528
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0011	0.0012	0.0019
Echinococcus multilocularis	dro:myosuppressin receptor	0.0021	0.0077	0.0077
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0021	0.0077	0.1077
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0077	0.0077
Onchocerca volvulus		0.0021	0.0077	0.1266
Brugia malayi	hypothetical protein	0.0015	0.0039	0.055
Brugia malayi	neuropeptide F receptor	0.0021	0.0077	0.1077
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0021	0.0077	0.0129
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0021	0.0077	0.0077
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0077	0.0077
Onchocerca volvulus		0.0021	0.0077	0.1266
Schistosoma mansoni	amine GPCR	0.0021	0.0077	0.0129
Brugia malayi	hypothetical protein	0.0021	0.0077	0.1077
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0077	0.0129
Schistosoma mansoni	hypothetical protein	0.009	0.0528	0.0884
Echinococcus granulosus	7TM GPCR rhodopsin	0.0021	0.0077	0.0077
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0021	0.0077	0.0129
Echinococcus multilocularis	serotonin receptor	0.0021	0.0077	0.0077
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.009	0.0528	0.0528
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0074	0.0124
Brugia malayi	AKH receptor	0.0021	0.0077	0.1077
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0077	0.0077
Brugia malayi	G protein-coupled receptor F59B2.13	0.0021	0.0077	0.1077
Onchocerca volvulus		0.0036	0.0175	0.3164
Trypanosoma cruzi	glycerol uptake protein, putative	0.009	0.0528	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0012	0.0019	0.0019
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0012	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0293
Onchocerca volvulus		0.0021	0.0077	0.1266

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 0.6 uM	Inhibitory activity against human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT)	ChEMBL.	12086483
Activity (binding)	= 0.6 uM	Inhibitory activity against human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT)	ChEMBL.	12086483
IC50 (binding)	= -5.85	Inhibitory concentration against Reverse transcriptase	ChEMBL.	15916427
IC50 (binding)	= 2.854	Inhibition of HIV1 reverse transcriptase	ChEMBL.	19054595
IC50 (binding)	= 5.85	Inhibition of HIV-1 reverse transcriptase	ChEMBL.	No reference
IC50 (functional)	= 0.6 uM	Antiviral activity against HIV-1 infected human MT-4 cells.	ChEMBL.	11384233
IC50 (binding)	= 1.4 uM	Inhibitory activity against HIV-1 reverse transcriptase	ChEMBL.	11384233
IC50 (binding)	= 1.4 uM	Inhibitory activity against HIV-1 reverse transcriptase	ChEMBL.	11384233
IC50 (functional)	= 146 uM	Cell culture cytotoxicity against MT-4 cells.	ChEMBL.	11384233
IC50 (functional)	= 146 uM	Cell culture cytotoxicity against MT-4 cells.	ChEMBL.	11384233
Log IC50 (functional)	= 3.22	Inhibition of HIV1 replication	ChEMBL.	18053727
Log IC50 (binding)	= 5.85	Inhibitory concentration against Reverse transcriptase	ChEMBL.	15916427

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: CHEMBL55308
PubChem: 483449

Bibliographic References

4 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 81690