TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.729 | Formula: C17H14ClIN2S
H donors: 1 H acceptors: 1 LogP: 5.78 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc2c(s1)Cc1c2ccc(c1)c1cc(C)cc(c1)Cl.I
InChi: 1S/C17H13ClN2S.HI/c1-9-4-11(7-13(18)5-9)10-2-3-14-12(6-10)8-15-16(14)20-17(19)21-15;/h2-7H,8H2,1H3,(H2,19,20);1H
InChiKey: OGAPFURDUNQEPR-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Trichomonas vaginalis	thymidine kinase, putative	0.0521	0.3051	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0029	0.0053
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0029	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0029	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0046	0.0357
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.007	0.0338	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.0249	0.0818
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	thymidylate kinase	0.007	0.0338	0.2622
Echinococcus granulosus	dna polymerase eta	0.0021	0.0046	0.0087
Giardia lamblia	Hypothetical protein	0.0073	0.0356	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0116	0.0431
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0029	0.018
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0045	0.0189	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.0162	0.044
Trypanosoma brucei	unspecified product	0.0015	0.0007	0.0022
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0027	0.0084	0.0274
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Brugia malayi	larval opioid receptor	0.0014	0.0003	0.0021
Trichomonas vaginalis	thymidine kinase, putative	0.0521	0.3051	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Trypanosoma brucei	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Leishmania major	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Onchocerca volvulus		0.0018	0.0029	0.018
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	thymidylate kinase	0.007	0.0338	0.1262
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0045	0.0189	0.0373
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0029	0.0109
Entamoeba histolytica	hypothetical protein	0.0045	0.0189	0.0528
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0045	0.0189	0.0373
Leishmania major	DNA polymerase eta, putative	0.0021	0.0046	0.0151
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0014	0.0003	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0189	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0045	0.0189	0.0528
Trypanosoma brucei	unspecified product	0.0021	0.0046	0.0151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0162	0.044
Leishmania major	cathepsin L-like protease	0.007	0.0339	0.1113
Loa Loa (eye worm)	MBOAT family protein	0.0045	0.0189	0.0704
Leishmania major	cathepsin L-like protease	0.007	0.0339	0.1113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0007	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0172
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0339	0.1113
Echinococcus granulosus	thymidine kinase	0.0844	0.4991	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Echinococcus multilocularis	thymidylate kinase	0.007	0.0338	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trichomonas vaginalis	thymidylate kinase, putative	0.007	0.0338	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Schistosoma mansoni	sterol O-acyltransferase 1	0.046	0.2682	0.5371
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Treponema pallidum	thymidylate kinase (tmk)	0.007	0.0338	1
Giardia lamblia	Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative	0.0073	0.0356	0.0311
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0046	0.0172
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0045	0.0189	0.0373
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.0137	0.3105
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0003	0.001
Brugia malayi	putative neuropeptide receptor NPR1	0.0014	0.0003	0.0021
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0046	0.0087
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0029	0.0227
Loa Loa (eye worm)	cysteine protease	0.0018	0.0029	0.0109
Leishmania major	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0046	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0228	0.1291	0.4813
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	GnHR receptor homolog	0.0014	0.0003	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0014	0.0003	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	ORL1-like opioid receptor	0.0014	0.0003	0.0021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0045	0.0189	0.0528
Entamoeba histolytica	thymidine kinase, putative	0.0521	0.3051	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0108	0.0212
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0045	0.0189	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trichomonas vaginalis	set domain proteins, putative	0.026	0.148	0.4802
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0045	0.0189	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	G protein-coupled receptor	0.0014	0.0003	0.0021
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0046	0.0151
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0045	0.0189	0.516
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0007	0.0022
Brugia malayi	Dopamine receptor protein 1	0.0014	0.0003	0.0021
Trypanosoma cruzi	thymidylate kinase, putative	0.007	0.0338	0.1109
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0014	0.0003	0.0021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Leishmania major	thymidylate kinase-like protein	0.007	0.0338	0.1109
Loa Loa (eye worm)	melatonin receptor type 1A	0.0014	0.0003	0.001
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0045	0.0189	0.0373
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0045	0.0189	0.0373
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0116	0.0227
Brugia malayi	MBOAT family protein	0.0045	0.0189	0.1463
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0045	0.0189	0.0373
Brugia malayi	neuropeptide F receptor	0.0014	0.0003	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0046	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	putative neuropeptide receptor	0.0014	0.0003	0.0021
Onchocerca volvulus		0.0018	0.0029	0.018
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0356	0.1082
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.0162	0.4306
Brugia malayi	diacylglycerol acyltransferase	0.0045	0.0189	0.1463
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0046	0.0357
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0073	0.0356	0.0709
Loa Loa (eye worm)	MBOAT family protein	0.0045	0.0189	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Schistosoma mansoni	hypothetical protein	0.0045	0.0189	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0046	0.0151
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0189	0.0528
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0014	0.0003	0.001
Plasmodium vivax	thymidylate kinase, putative	0.007	0.0338	1
Leishmania major	cathepsin L-like protease	0.0018	0.0029	0.0096
Trypanosoma brucei	thymidylate kinase, putative	0.007	0.0338	0.1109
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0014	0.0003	0.001
Brugia malayi	MBOAT family protein	0.0045	0.0189	0.1463
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0014	0.0003	0.0021
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0045	0.0189	0.0373
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0046	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	Pre-SET motif family protein	0.0228	0.1291	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0116	0.0227
Echinococcus multilocularis	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0073	0.0356	0.0709
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0003	0.001
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0116	0.0227
Brugia malayi	Pre-SET motif family protein	0.0033	0.0116	0.0896
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0045	0.0189	0.516
Echinococcus multilocularis	cysteine protease	0.0018	0.0029	0.0053
Leishmania major	cathepsin L-like protease	0.0018	0.0029	0.0096
Loa Loa (eye worm)	ctsf protein	0.0018	0.0029	0.0109
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0045	0.0189	0.0704
Loa Loa (eye worm)	hhat protein	0.0045	0.0189	0.0704
Mycobacterium ulcerans	thymidylate kinase	0.007	0.0338	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0029	0.0053
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0003	0.001
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	MBOAT family protein	0.0045	0.0189	0.1463
Trypanosoma cruzi	thymidine kinase, putative	0.0521	0.3051	1
Plasmodium vivax	SET domain protein, putative	0.0033	0.0116	0.2795
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0073	0.0356	0.1082
Schistosoma mansoni	thymidine kinase	0.0844	0.4991	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.046	0.2682	0.5371
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0046	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Brugia malayi	MBOAT family protein	0.0045	0.0189	0.1463
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.007	0.0338	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Giardia lamblia	CDC8	0.007	0.0338	0.0294
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0045	0.0189	0.0373
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0029	0.018
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0029	0.018
Toxoplasma gondii	hypothetical protein	0.0045	0.0189	0.516
Leishmania major	thymidine kinase, putative	0.0521	0.3051	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Echinococcus multilocularis	thymidine kinase	0.0844	0.4991	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0046	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0339	0.1113
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0014	0.0003	0.001
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0046	0.0151
Leishmania major	cathepsin L-like protease	0.0018	0.0029	0.0096
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0064	0.0303	0.0993
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Giardia lamblia	Hypothetical protein	0.0073	0.0356	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Chlamydia trachomatis	thymidylate kinase	0.007	0.0338	0.5
Onchocerca volvulus		0.0018	0.0029	0.018
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0014	0.0003	0.0021
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	G-protein coupled receptor	0.0014	0.0003	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Trichomonas vaginalis	porcupine, putative	0.0045	0.0189	0.0528
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Brugia malayi	G-protein coupled receptor	0.0014	0.0003	0.0021
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0162	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0045	0.0189	0.516
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.0029	0.0096
Onchocerca volvulus		0.0018	0.0029	0.018
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0045	0.0189	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Onchocerca volvulus	Putative thymidylate kinase	0.007	0.0338	0.2272
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0162	0.0532
Loa Loa (eye worm)	fibroinase	0.0018	0.0029	0.0109
Onchocerca volvulus		0.0033	0.0116	0.0765
Trypanosoma cruzi	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0045	0.0189	0.0373
Schistosoma mansoni	thymidylate kinase	0.007	0.0338	0.0673
Brugia malayi	Serotonin receptor	0.0014	0.0003	0.0021
Plasmodium falciparum	thymidylate kinase	0.007	0.0338	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0073	0.0356	0.1082
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0045	0.0189	0.0373
Echinococcus multilocularis	cysteine protease	0.0018	0.0029	0.0053
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Trypanosoma cruzi	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0045	0.0189	0.516
Brugia malayi	Melatonin receptor type 1A	0.0014	0.0003	0.0021
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0046	0.0087
Echinococcus multilocularis	thymidine kinase	0.0844	0.4991	1
Loa Loa (eye worm)	hypothetical protein	0.0415	0.2412	0.8994
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0029	0.0053
Echinococcus granulosus	thymidylate kinase	0.007	0.0338	0.0673
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.0339	0.1113
Leishmania major	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0046	0.1363
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0162	0.044
Trypanosoma brucei	thymidine kinase	0.0521	0.3051	1
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0045	0.0189	0.0373
Trypanosoma brucei	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0014	0.0003	0.001
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0045	0.0189	0.0373
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0073	0.0356	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0189	0.0704
Brugia malayi	neuropeptide F receptor	0.0014	0.0003	0.0021
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0029	0.0053
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0046	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0014	0.0003	0.0021
Trypanosoma cruzi	GUP1, putative	0.0045	0.0189	0.0619
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0162	0.032
Giardia lamblia	Thymidine kinase	0.0521	0.3051	0.3018
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Leishmania major	cathepsin L-like protease	0.007	0.0339	0.1113
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0046	0.0056
Brugia malayi	MBOAT family protein	0.0045	0.0189	0.1463
Trichomonas vaginalis	thymidylate kinase, putative	0.007	0.0338	0.1023
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0029	0.0109
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Brugia malayi	Inositol-1	0.0041	0.0162	0.1258
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0045	0.0189	0.0373
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0162	0.0532
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0162	0.0532
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0029	0.0053
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	Serotonin receptor	0.0014	0.0003	0.0021
Onchocerca volvulus		0.0018	0.0029	0.018
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0046	0.0087
Trypanosoma brucei	thymidylate kinase, putative	0.007	0.0338	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	TYRA-2 protein	0.0014	0.0003	0.001
Entamoeba histolytica	Thymidylate kinase, putative	0.007	0.0338	0.1023
Entamoeba histolytica	vacuolar protein sorting 26	0.0045	0.0189	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.0162	0.044
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0045	0.0189	0.0373
Leishmania major	cysteine peptidase A (CPA)	0.0018	0.0029	0.0096
Brugia malayi	Dopamine receptor	0.0014	0.0003	0.0021
Onchocerca volvulus		0.0018	0.0029	0.018
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0046	0.0151
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0116	0.0227
Loa Loa (eye worm)	hypothetical protein	0.046	0.2682	1
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0045	0.0189	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0189	0.0704
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0045	0.0189	0.0373
Entamoeba histolytica	hypothetical protein	0.0073	0.0356	0.1082
Echinococcus granulosus	sterol O acyltransferase 1	0.046	0.2682	0.5371
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Leishmania major	cathepsin L-like protease	0.0018	0.0029	0.0096
Echinococcus granulosus	thymidine kinase	0.0844	0.4991	1
Onchocerca volvulus		0.0045	0.0189	0.126
Leishmania major	hypothetical protein, conserved	0.0027	0.0084	0.0274
Brugia malayi	sulfakinin receptor protein	0.0014	0.0003	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0045	0.0189	0.0373
Leishmania major	cathepsin L-like protease	0.0018	0.0029	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Echinococcus multilocularis	inositol monophosphatase 1	0.0041	0.0162	0.032
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0045	0.0189	0.0373
Brugia malayi	G protein-coupled receptor F59B2.13	0.0014	0.0003	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0007	0.0022
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0045	0.0189	0.0528
Entamoeba histolytica	hypothetical protein, conserved	0.0045	0.0189	0.0528
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0116	0.0227
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0046	0.0087
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Echinococcus multilocularis	transfer RNA-Ile	0.0844	0.4991	1
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0027	0.0084	0.0274
Loa Loa (eye worm)	deoxynucleoside kinase	0.0073	0.0356	0.1328
Brugia malayi	RE15519p	0.0014	0.0003	0.0021
Trypanosoma cruzi	thymidine kinase, putative	0.0521	0.3051	1
Brugia malayi	follicle stimulating hormone receptor	0.0014	0.0003	0.0021
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0116	0.0227
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0116	0.2795
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Trypanosoma cruzi	GUP1, putative	0.0045	0.0189	0.0619
Trichomonas vaginalis	thymidine kinase, putative	0.0521	0.3051	1
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0356	0.1082
Brugia malayi	Hhat protein	0.0045	0.0189	0.1463
Onchocerca volvulus		0.026	0.148	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0029	0.0053
Leishmania major	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Trypanosoma cruzi	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Onchocerca volvulus		0.0018	0.0029	0.018
Schistosoma mansoni	zinc finger protein	0.0045	0.0189	0.0373
Toxoplasma gondii	thymidylate kinase	0.007	0.0338	1
Schistosoma mansoni	hypothetical protein	0.0057	0.026	0.0516
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0073	0.0356	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Brugia malayi	Dopamine receptor protein 2	0.0014	0.0003	0.0021
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0045	0.0189	0.0704
Loa Loa (eye worm)	hhat protein	0.0045	0.0189	0.0704
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.0227
Loa Loa (eye worm)	MBOAT family protein	0.0045	0.0189	0.0704
Trypanosoma cruzi	thymidylate kinase, putative	0.007	0.0338	0.1109
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.007	0.0338	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0029	0.0053
Schistosoma mansoni	hypothetical protein	0.007	0.0338	0.0673
Schistosoma mansoni	thymidylate kinase	0.007	0.0338	0.0673
Brugia malayi	AKH receptor	0.0014	0.0003	0.0021
Brugia malayi	hypothetical protein	0.0014	0.0003	0.0021
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0029	0.0053
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0189	0.0528
Echinococcus granulosus	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0073	0.0356	0.0709
Brugia malayi	Deoxynucleoside kinase family protein	0.0073	0.0356	0.2759
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0046	0.0151
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0046	0.0056
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0045	0.0189	0.0373
Leishmania major	glycerol uptake protein, putative	0.0045	0.0189	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0003	0.001
Loa Loa (eye worm)	inositol-1	0.0041	0.0162	0.0605
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0339	0.1113
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0844	0.4991	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0189	0.0528
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.0162	0.4799
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0014	0.0003	0.0021
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0339	0.1113
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0162	0.032
Trypanosoma brucei	unspecified product	0.0015	0.0007	0.0022
Leishmania major	hypothetical protein, conserved	0.0045	0.0189	0.0619
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.0162	0.032
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0116	0.0227

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	> 10 %	Allosteric enhancer activity against adenosine A1 receptor	ChEMBL.	16078833
Activity (binding)	> 10 %	Allosteric enhancer activity against adenosine A1 receptor	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 0 %	In vitro allosteric enhancer (AE) activity for adenosine A2A receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 0 %	In vitro allosteric enhancer (AE) activity for adenosine A3 receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 0 %	In vitro allosteric enhancer (AE) activity for adenosine A2A receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 0 %	In vitro allosteric enhancer (AE) activity for adenosine A3 receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 19.3 %	In vitro allosteric enhancer (AE) activity for adenosine A1 receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 19.3 %	In vitro allosteric enhancer (AE) activity for adenosine A1 receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 44 %	In vitro allosteric enhancer (AE) activity for adenosine A1 receptor at 50 uM	ChEMBL.	16078833
Alloste ic enhan er (AE) (binding)	= 44 %	In vitro allosteric enhancer (AE) activity for adenosine A1 receptor at 50 uM	ChEMBL.	16078833
EC50 (functional)	= 10 uM	Antagonist activity against adenosine A1 receptor	ChEMBL.	16078833
EC50 (functional)	= 10 uM	Antagonist activity against adenosine A1 receptor	ChEMBL.	16078833

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: CHEMBL193053

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 334766