TDR Targets

Basic information

Technical information

TDR Targets ID: 81780
Name: 8-cyclopropyl-1,3-dipropyl-7H-purine-2,6-dion e
MW: 276.334 | Formula: C14H20N4O2
H donors: 1 H acceptors: 3 LogP: 1.98 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)C1CC1
InChi: 1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
InChiKey: MQNGKZXCIMDJDW-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

8-cyclopropyl-1,3-dipropyl-7H-purine-2,6-quinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2 receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2a receptor	Starlite/ChEMBL	No 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
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A2a receptor	410 aa	368 aa	22.6 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2a receptor	410 aa	366 aa	25.4 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A2a receptor	410 aa	342 aa	23.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2a receptor	410 aa	399 aa	28.1 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2a receptor	410 aa	340 aa	27.9 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A2a receptor	410 aa	372 aa	22.8 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A2a receptor	410 aa	352 aa	23.6 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2a receptor	410 aa	346 aa	28.3 %
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A2a receptor	410 aa	356 aa	23.9 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A2a receptor	410 aa	342 aa	23.1 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Onchocerca volvulus		Adenosine A2a receptor	410 aa	337 aa	23.1 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	thioredoxin reductase	0.0105	0.2436	1
Loa Loa (eye worm)	glutathione reductase	0.0105	0.2436	0.3124
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0485	0.0609
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0891	0.088
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.008	0.1736	0.1726
Brugia malayi	glutaminase DH11.1	0.0297	0.7772	1
Brugia malayi	hypothetical protein	0.0027	0.027	0.0347
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0267	0.6932	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0267	0.6932	1
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Schistosoma mansoni	hypothetical protein	0.0076	0.1618	0.1608
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0122	0.0156
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0037	0.0523	0.0496
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0211	0.5357	1
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0122	0.011
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.024	0.6187	0.8837
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0122	0.011
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.027	0.0642
Brugia malayi	MH1 domain containing protein	0.0018	0.0012	0.0015
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0047	0.0814	0.2991
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0037	0.0523	0.0496
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0485	0.0474
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0037	0.0523	0.1166
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0037	0.0523	0.1733
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0037	0.0523	0.0766
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Trichomonas vaginalis	DNA helicase recq1, putative	0.0053	0.0994	0.0927
Echinococcus multilocularis	bloom syndrome protein	0.0053	0.0994	0.0984
Plasmodium falciparum	thioredoxin reductase	0.0105	0.2436	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0037	0.0523	0.0512
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0105	0.2436	0.2427
Loa Loa (eye worm)	RecQ helicase	0.0053	0.0994	0.1266
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0037	0.0523	0.1733
Trypanosoma cruzi	polo-like protein kinase, putative	0.0211	0.5357	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0122	0.0156
Toxoplasma gondii	NADPH-glutathione reductase	0.0037	0.0523	0.1733
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0267	0.6932	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0211	0.5357	0.5
Trichomonas vaginalis	glutaminase, putative	0.0297	0.7772	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.024	0.6187	0.8837
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0036	0.0501	0.164
Schistosoma mansoni	hypothetical protein	0.0378	1	1
Entamoeba histolytica	hypothetical protein	0.008	0.1736	0.2836
Brugia malayi	MH2 domain containing protein	0.0018	0.0012	0.0015
Entamoeba histolytica	hypothetical protein	0.008	0.1736	0.2836
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0122	0.011
Brugia malayi	glutathione reductase	0.0105	0.2436	0.3134
Trichomonas vaginalis	mercuric reductase, putative	0.0037	0.0523	0.0295
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0037	0.0523	0.0496
Brugia malayi	MH1 domain containing protein	0.0018	0.0012	0.0015
Loa Loa (eye worm)	transcription factor SMAD2	0.0266	0.69	0.8876
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0122	0.0000000012075
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0211	0.5357	1
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Giardia lamblia	Kinase, PLK	0.0211	0.5357	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0037	0.0523	0.0672
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0891	0.088
Entamoeba histolytica	hypothetical protein	0.008	0.1736	0.2836
Brugia malayi	hypothetical protein	0.008	0.1736	0.2233
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0105	0.2436	0.2985
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.2403	0.2813
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0485	0.0474
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0485	0.0474
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0485	0.0474
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0029	0.0302	0.0063
Brugia malayi	MH2 domain containing protein	0.0018	0.0012	0.0015
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0037	0.0523	0.0496
Mycobacterium tuberculosis	Probable reductase	0.024	0.6187	0.8837
Trypanosoma brucei	polo-like protein kinase	0.0211	0.5357	1
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0122	0.011
Brugia malayi	serine/threonine-protein kinase plk-2	0.0211	0.5357	0.6892
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0036	0.0513	0.1122
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Trichomonas vaginalis	glutathione reductase, putative	0.0037	0.0523	0.0295
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0211	0.5357	0.5351
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.024	0.6187	0.8837
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0037	0.0523	0.0512
Treponema pallidum	NADH oxidase	0.0037	0.0523	0.5
Echinococcus multilocularis	geminin	0.0378	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0037	0.0523	0.0496
Echinococcus granulosus	GPCR family 2	0.0035	0.0485	0.0474
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0037	0.0523	0.0496
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0485	0.0474
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0037	0.0523	0.0496
Brugia malayi	Thioredoxin reductase	0.0105	0.2436	0.3134
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0122	0.011
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0029	0.0302	0.0063
Loa Loa (eye worm)	thioredoxin reductase	0.0105	0.2436	0.3124
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0891	0.088
Plasmodium vivax	thioredoxin reductase, putative	0.0105	0.2436	1
Schistosoma mansoni	hypothetical protein	0.0378	1	1
Loa Loa (eye worm)	glutaminase	0.0297	0.7772	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.024	0.6187	0.8837
Plasmodium falciparum	glutathione reductase	0.0105	0.2436	1
Echinococcus granulosus	bloom syndrome protein	0.0053	0.0994	0.0984
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0891	0.088
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0122	0.0142
Brugia malayi	MH2 domain containing protein	0.0266	0.69	0.8878
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0485	0.0609
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0037	0.0523	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0266	0.69	0.8876
Schistosoma mansoni	hypothetical protein	0.0035	0.0485	0.0474
Schistosoma mansoni	transcription factor LCR-F1	0.008	0.1736	0.1726
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0029	0.0302	0.0063
Schistosoma mansoni	kinase	0.0107	0.2481	0.2472
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.2595	0.3328
Plasmodium vivax	glutathione reductase, putative	0.0105	0.2436	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.027	0.0642
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Schistosoma mansoni	serine/threonine protein kinase	0.0211	0.5357	0.5351
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0122	0.0142
Loa Loa (eye worm)	glutaminase 2	0.0297	0.7772	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1618	0.207
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.008	0.1736	0.1726
Trypanosoma cruzi	trypanothione reductase, putative	0.0105	0.2436	0.4258
Trypanosoma cruzi	polo-like protein kinase, putative	0.0211	0.5357	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.027	0.0642
Schistosoma mansoni	hypothetical protein	0.0035	0.0485	0.0474
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0267	0.6932	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0891	0.088
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0523	0.1733
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.024	0.6187	0.8837
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0891	0.1146
Mycobacterium ulcerans	glutaminase	0.0297	0.7772	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2595	0.3328
Loa Loa (eye worm)	hypothetical protein	0.0269	0.699	0.8992
Entamoeba histolytica	hypothetical protein	0.008	0.1736	0.2836
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.2595	0.3338
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Schistosoma mansoni	hypothetical protein	0.008	0.1736	0.1726
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.2595	0.3338
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0891	0.1133
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1618	0.2082
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0037	0.0523	0.0496
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0485	0.0624
Echinococcus granulosus	thioredoxin glutathione reductase	0.0105	0.2436	0.2427
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0211	0.5357	0.5351
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0037	0.0523	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0027	0.027	0.0333
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0027	0.0253	0.0326
Schistosoma mansoni	glutaminase	0.0297	0.7772	0.777
Schistosoma mansoni	blooms syndrome DNA helicase	0.0042	0.0682	0.0671
Brugia malayi	Smad1	0.0018	0.0012	0.0015
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0891	0.088
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.2403	0.2813
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0037	0.0523	0.0496
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0122	0.011
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0037	0.0523	0.5
Brugia malayi	Bloom's syndrome protein homolog	0.0053	0.0994	0.1279
Schistosoma mansoni	hypothetical protein	0.0035	0.0485	0.0474
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0485	0.0624
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0037	0.0523	0.5
Plasmodium falciparum	glutathione reductase	0.0037	0.0523	0.1733
Leishmania major	trypanothione reductase	0.0105	0.2436	0.4258
Trypanosoma brucei	trypanothione reductase	0.0105	0.2436	0.4258
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0037	0.0523	0.1733
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0891	0.088
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0027	0.0253	0.0326
Trichomonas vaginalis	CAMK family protein kinase	0.0211	0.5357	0.6766
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0523	0.0496
Trichomonas vaginalis	DNA helicase recq, putative	0.0053	0.0994	0.0927
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0037	0.0523	0.0512
Schistosoma mansoni	hypothetical protein	0.0035	0.0485	0.0474
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0211	0.5357	0.6887

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -7.38	Evaluated for binding affinity against Adenosine A1 receptor	ChEMBL.	1542091
Ki (binding)	= 1.5 nM	Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate	ChEMBL.	No reference
Ki (binding)	= 1.5 nM	Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate	ChEMBL.	No reference
Ki (binding)	= 706 nM	Dissplacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate	ChEMBL.	No reference
Ki (binding)	= 706 nM	Dissplacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate	ChEMBL.	No reference
Ki (functional)	= 0.042 uM	Antagonist activity against adenosine A1 receptor in human platelets	ChEMBL.	1694546
Ki (functional)	= 0.042 uM	Antagonist activity against adenosine A1 receptor in human platelets	ChEMBL.	1694546
Ki (functional)	= 0.24 uM	Antagonistic activity against adenosine A2 receptor in rat adipocytes	ChEMBL.	1694546
Ki (functional)	= 0.24 uM	Antagonistic activity against adenosine A2 receptor in rat adipocytes	ChEMBL.	1694546
Log Ki (binding)	= 7.38	Evaluated for binding affinity against Adenosine A1 receptor	ChEMBL.	1542091
Ratio (binding)	= 0.002	Selectivity ratio for adenosine A1 and A2a receptors	ChEMBL.	No reference

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: CHEMBL53737
PubChem: 19003740

Bibliographic References

2 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 81780