TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.382 | Formula: C19H16N8O3
H donors: 2 H acceptors: 5 LogP: 1.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)Nc1nc2nn(cc2c2n1nc(n2)c1ccco1)C
InChi: 1S/C19H16N8O3/c1-26-10-11-15(24-26)22-18(23-19(28)20-12-6-3-4-7-13(12)29-2)27-17(11)21-16(25-27)14-8-5-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
InChiKey: GXDMHIOIHZQMCR-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 A2b receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A2a receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A3 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	follicle stimulating hormone receptor	adenosine A2a receptor	412 aa	336 aa	22.3 %
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.018	0.7237	0.7234
Brugia malayi	hypothetical protein	0.0026	0.0504	0.0504
Echinococcus granulosus	lamin	0.0026	0.0526	0.0519
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0244	1	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0072	0.0063
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0698	0.069
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0072	0.0063
Brugia malayi	AMP-binding enzyme family protein	0.008	0.2859	0.2859
Onchocerca volvulus		0.0016	0.0097	0.0908
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0698	0.0698
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1538	0.1538
Brugia malayi	hypothetical protein	0.0014	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	0.0016	0.0072	0.0063
Schistosoma mansoni	hypothetical protein	0.0016	0.0072	0.0063
Echinococcus granulosus	voltage dependent calcium channel	0.0074	0.2597	0.2591
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Brugia malayi	beta-lactamase	0.0037	0.098	0.098
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0014	0.0008	0.0008
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.098	0.226
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Onchocerca volvulus		0.0037	0.098	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0074	0.26	0.6403
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1538	0.1538
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0698	0.069
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0698	0.069
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0698	0.0698
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0698	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0072	0.0072
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0244	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0698	0.0698
Echinococcus multilocularis	lamin	0.0026	0.0526	0.0519
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0526	0.0526
Brugia malayi	steroid hormone receptor	0.003	0.0698	0.0698
Toxoplasma gondii	ABC1 family protein	0.0037	0.098	0.1237
Brugia malayi	hypothetical protein	0.0014	0.0008	0.0008
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0097	0.0088
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.098	0.0972
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.098	0.098
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0698	0.0698
Schistosoma mansoni	lamin	0.0026	0.0526	0.0519
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0097	0.0908
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0097	0.0097
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0698	0.069
Brugia malayi	nuclear receptor NHR-67	0.0014	0.0008	0.0008
Trypanosoma cruzi	major cysteine proteinase, putative	0.0048	0.1501	0.3592
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0698	0.0698
Echinococcus multilocularis	lamin dm0	0.0026	0.0526	0.0519
Brugia malayi	nuclear receptor NHR-88	0.0014	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0698	0.0698
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0698	0.0698
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0698	0.0698
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.098	0.1359
Echinococcus granulosus	lamin dm0	0.0026	0.0526	0.0519
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Schistosoma mansoni	hypothetical protein	0.0168	0.6687	0.6684
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.098	0.0972
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.098	0.0972
Brugia malayi	hypothetical protein	0.0016	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Onchocerca volvulus		0.0016	0.0097	0.0908
Onchocerca volvulus		0.0016	0.0097	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0504	0.0504
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0526	0.0519
Echinococcus multilocularis	cysteine protease	0.0016	0.0097	0.0088
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0698	0.069
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0859	0.0859
Brugia malayi	nuclear hormone receptor	0.003	0.0698	0.0698
Brugia malayi	orphan nuclear receptor NR2E1	0.0014	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0698	0.0698
Onchocerca volvulus		0.0037	0.098	1
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0097	0.0908
Brugia malayi	beta-lactamase family protein	0.0037	0.098	0.098
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.0168	0.6687	0.6684
Schistosoma mansoni	hypothetical protein	0.0016	0.0072	0.0063
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0698	0.069
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0244	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2597	0.2597
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.2558	0.1845
Onchocerca volvulus		0.0037	0.098	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0097	0.0088
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0698	0.069
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0106	0.4006	1
Echinococcus multilocularis	voltage dependent calcium channel	0.0244	1	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.008	0.2859	0.2859
Toxoplasma gondii	aldehyde dehydrogenase	0.018	0.7237	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0074	0.26	0.6403
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0244	1	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Echinococcus granulosus	voltage dependent calcium channel	0.0244	1	1
Loa Loa (eye worm)	cysteine protease	0.0016	0.0097	0.0097
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.2075	0.5061
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0244	1	1
Brugia malayi	intermediate filament protein	0.0026	0.0526	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0082	0.0082
Brugia malayi	nuclear receptor RXR	0.0014	0.0008	0.0008
Loa Loa (eye worm)	DR-78	0.0014	0.0008	0.0008
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0698	0.069
Onchocerca volvulus		0.0016	0.0097	0.0908
Echinococcus multilocularis	voltage dependent calcium channel	0.0244	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0082	0.0074
Loa Loa (eye worm)	beta-lactamase	0.0037	0.098	0.098
Onchocerca volvulus		0.003	0.0698	0.7099
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.9534	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0097	0.0088
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0072	0.0063
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.008	0.2859	0.3004
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0082	0.0082
Echinococcus granulosus	GPCR family 2	0.0016	0.0072	0.0063
Echinococcus granulosus	geminin	0.0168	0.6687	0.6684
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0698	0.069
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.098	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0698	0.069
Leishmania major	cathepsin L-like protease	0.0062	0.2075	0.2771
Onchocerca volvulus	Protein ultraspiracle homolog	0.003	0.0698	0.7099
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0073	0.2558	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0072	0.0072
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0698	0.0698
Schistosoma mansoni	aldehyde dehydrogenase	0.018	0.7237	0.7234
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0097	0.0097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Loa Loa (eye worm)	ctsf protein	0.0016	0.0097	0.0097
Toxoplasma gondii	transporter, cation channel family protein	0.0074	0.2597	0.3502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Schistosoma mansoni	aldehyde dehydrogenase	0.018	0.7237	0.7234
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0074	0.26	0.2594
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0504	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Onchocerca volvulus		0.0016	0.0097	0.0908
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0244	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0097	0.0908
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0698	0.0698
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.2075	0.5061
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0097	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.098	1
Trichomonas vaginalis	esterase, putative	0.0037	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0082	0.0082
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0698	0.0698
Brugia malayi	nuclear receptor NHR-88	0.003	0.0698	0.0698
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.098	1
Schistosoma mansoni	lamin	0.0026	0.0526	0.0519
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0082	0.0082
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0504	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0065	0.221	0.221
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0526	0.0526
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1538	0.1538
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0526	0.0526
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0698	0.069
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0082	0.0082
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0698	0.069
Schistosoma mansoni	coup transcription factor	0.003	0.0698	0.069
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0698	0.0698
Brugia malayi	hypothetical protein	0.0017	0.011	0.011
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Echinococcus multilocularis	sodium channel protein	0.0041	0.1188	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0097	0.0088
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0698	0.069
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1538	0.1538
Loa Loa (eye worm)	hypothetical protein	0.0065	0.221	0.221
Entamoeba histolytica	hypothetical protein	0.0036	0.0941	1
Brugia malayi	hypothetical protein	0.0036	0.0941	0.0941
Echinococcus multilocularis	geminin	0.0168	0.6687	0.6684
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0526	0.0526
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0698	0.069
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Entamoeba histolytica	hypothetical protein	0.0036	0.0941	1
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0106	0.4006	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.098	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0014	0.0008	0.0008
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0244	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.018	0.7237	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0698	0.069
Echinococcus multilocularis	musashi	0.0026	0.0526	0.0519
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0244	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.2075	0.5061
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0072	0.0063
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0941	0.0934
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0698	0.0698
Brugia malayi	Nuclear hormone receptor E75	0.0014	0.0008	0.0008
Echinococcus granulosus	cathepsin l1	0.0016	0.0097	0.0088
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0698	0.069
Onchocerca volvulus	Bile acid receptor homolog	0.003	0.0698	0.7099
Leishmania major	hypothetical protein, conserved	0.0026	0.0504	0.057
Brugia malayi	ecdysone receptor	0.0014	0.0008	0.0008
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0014	0.0008	0.0008
Entamoeba histolytica	hypothetical protein	0.0036	0.0941	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0698	0.069
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0698	0.069
Loa Loa (eye worm)	hypothetical protein	0.0244	1	1
Brugia malayi	nuclear receptor RXR	0.0016	0.0082	0.0082
Schistosoma mansoni	hypothetical protein	0.0016	0.0072	0.0063
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0698	0.0698
Schistosoma mansoni	hypothetical protein	0.0036	0.0941	0.0934
Schistosoma mansoni	FFA transport protein	0.0074	0.26	0.2594
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0698	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0698	0.069
Entamoeba histolytica	hypothetical protein	0.0036	0.0941	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0082	0.0082
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0698	0.069
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0698	0.069
Schistosoma mansoni	voltage-gated cation channel	0.0244	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0698	0.069
Brugia malayi	Nuclear hormone receptor E75	0.0014	0.0008	0.0008
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0698	0.069
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0074	0.26	0.2594
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0504	1
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0698	0.069
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0698	0.069
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0698	0.0698
Mycobacterium ulcerans	aldehyde dehydrogenase	0.018	0.7237	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.098	0.098
Brugia malayi	hypothetical protein	0.0016	0.0082	0.0082
Echinococcus granulosus	intermediate filament protein	0.0026	0.0526	0.0519
Onchocerca volvulus		0.0026	0.0526	0.5333
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0698	0.069
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0072	0.0072
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.018	0.7237	0.7314
Toxoplasma gondii	hypothetical protein	0.0065	0.221	0.296
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0698	0.069
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0698	0.0698
Onchocerca volvulus		0.0026	0.0526	0.5333
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0244	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0097	0.0088
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.018	0.7237	0.7234
Brugia malayi	ecdysteroid receptor	0.003	0.0698	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0037	0.098	0.098
Leishmania major	cathepsin L-like protease	0.0062	0.2075	0.2771
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.2075	0.5061
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0698	0.069
Leishmania major	hypothetical protein, conserved	0.0037	0.098	0.1237
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.098	0.226
Onchocerca volvulus		0.0016	0.0097	0.0908
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0014	0.0008	0.0008
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0504	0.057
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.003	0.0698	0.7099
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Schistosoma mansoni	hypothetical protein	0.0034	0.0859	0.0852
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0859	0.0859
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0097	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0082	0.0082
Loa Loa (eye worm)	fibroinase	0.0016	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.1842	0.4466
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0082	0.0074
Brugia malayi	beta-lactamase family protein	0.0037	0.098	0.098
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0097	0.0088
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0698	0.0698
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0698	0.069
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0504	0.1042
Echinococcus multilocularis	cysteine protease	0.0016	0.0097	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0698	0.0698
Brugia malayi	nuclear hormone receptor	0.0014	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0698	0.0698
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0941	0.0934
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0082	0.0074
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0941	0.0934
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.098	0.0972
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0014	0.0008	0.0008
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0074	0.2597	0.2597
Brugia malayi	tailless protein	0.0014	0.0008	0.0008
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0041	0.1188	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0506	0.0506
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0082	0.0074
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0097	0.0097
Mycobacterium ulcerans	aldehyde dehydrogenase	0.018	0.7237	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.2075	0.4487
Leishmania major	fatty acid transporter protein-like protein	0.0073	0.2558	0.3447
Onchocerca volvulus		0.0016	0.0097	0.0908
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Loa Loa (eye worm)	calcium channel	0.0244	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0072	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0097	0.0097
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.018	0.7237	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0698	0.0698
Loa Loa (eye worm)	hypothetical protein	0.003	0.0698	0.0698
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0698	0.0698
Brugia malayi	conserved hypotetical protein	0.0014	0.0008	0.0008
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0698	0.069
Loa Loa (eye worm)	nuclear hormone receptor	0.0014	0.0008	0.0008
Leishmania major	cathepsin L-like protease	0.0062	0.2075	0.2771
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0008	0.0008
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0504	0.4611

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.6 nM	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 3.0-10.8	ChEMBL.	11831890
IC50 (functional)	= 5.6 nM	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 3.0-10.8	ChEMBL.	11831890
Ki (binding)	= 6.15	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins	ChEMBL.	21163647
Ki (binding)	= 9.155	Binding affinity to human adenosine A3 receptor	ChEMBL.	No reference
Ki (binding)	= 0.7 nM	Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.59-0.83	ChEMBL.	11831890
Ki (binding)	= 0.7 nM	Binding affinity for human adenosine A3 receptor	ChEMBL.	15634009
Ki (binding)	= 0.7 nM	Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.59-0.83	ChEMBL.	11831890
Ki (binding)	= 0.7 nM	Binding affinity for human adenosine A3 receptor	ChEMBL.	15634009
Ki (binding)	= 0.7 nM	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells	ChEMBL.	19501513
Ki (binding)	= 180 nM	Displacement of [3H]-SCH-58,261 from human Adenosine A2A receptor expressed in HEK-293 cells; range 146-220	ChEMBL.	11831890
Ki (binding)	= 180 nM	Displacement of [3H]-SCH-58,261 from human Adenosine A2A receptor expressed in HEK-293 cells; range 146-220	ChEMBL.	11831890
Ki (binding)	= 180 nM	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells	ChEMBL.	19501513
Ki (binding)	= 223 nM	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK-293 cells; range 187-265	ChEMBL.	11831890
Ki (binding)	= 223 nM	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK-293 cells; range 187-265	ChEMBL.	11831890
Ki (binding)	= 450 nM	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 379-535	ChEMBL.	11831890
Ki (binding)	= 450 nM	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 379-535	ChEMBL.	11831890
pKi (binding)	= -2.26 nM	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells	ChEMBL.	19501513
pKi (binding)	= 0.15 nM	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells	ChEMBL.	19501513
Ratio (binding)	= 257	Selectivity ratio of the compound (h2A/hA3)	ChEMBL.	11831890
Ratio (binding)	= 319	Selectivity ratio of the compound (h2B/hA3)	ChEMBL.	11831890
Ratio (binding)	= 643	Selectivity ratio of the compound (hA1/hA3)	ChEMBL.	11831890

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: CHEMBL351211
PubChem: 11058550

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 282742