TDR Targets

Basic information

Technical information

TDR Targets ID: 236982
Name: 8-cyclohexyl-3,7-dimethyl-1-prop-2-ynylpurine -2,6-dione
MW: 300.356 | Formula: C16H20N4O2
H donors: 0 H acceptors: 3 LogP: 1.88 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C#CCn1c(=O)n(C)c2c(c1=O)n(C)c(n2)C1CCCCC1
InChi: 1S/C16H20N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,11H,5-10H2,2-3H3
InChiKey: VWMDMXCUVUNADG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

8-cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione
8-cyclohexyl-3,7-dimethyl-1-propargyl-xanthine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A2a receptor	Starlite/ChEMBL	References
Rattus norvegicus	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
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2a receptor	410 aa	399 aa	28.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Onchocerca volvulus		Adenosine A2a receptor	410 aa	337 aa	23.1 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2a receptor	410 aa	346 aa	28.3 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2a receptor	410 aa	340 aa	27.9 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A2a receptor	410 aa	372 aa	22.8 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A2a receptor	410 aa	352 aa	23.6 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A2a receptor	410 aa	368 aa	22.6 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A2a receptor	410 aa	342 aa	23.1 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2a receptor	410 aa	366 aa	25.4 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
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	274 aa	22.6 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0438	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Echinococcus multilocularis	geminin	0.0341	0.4711	0.4821
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.0588	0.1864
Onchocerca volvulus		0.0036	0.0296	0.091
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0105	0.0314
Brugia malayi	Pre-SET motif family protein	0.0202	0.27	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0296	0.4177
Onchocerca volvulus	Fxna peptidase homolog	0.0046	0.0436	0.1365
Onchocerca volvulus	Fxna peptidase homolog	0.0046	0.0436	0.1365
Leishmania major	glutaminyl cyclase, putative	0.0046	0.0436	0.6865
Brugia malayi	nicalin	0.0046	0.0436	0.1616
Onchocerca volvulus		0.0023	0.0105	0.0291
Onchocerca volvulus		0.023	0.3105	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0296	0.1095
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0296	0.0446
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0105	0.1279
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0105	0.1279
Toxoplasma gondii	exonuclease III APE	0.0037	0.031	0.7001
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0006
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0296	0.0927
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0296	0.0927
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.3124	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0006
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0191	0.0181
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0296	0.5476
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0588	0.122
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0533	0.0519
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0105	0.1279
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.031	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.002	0.0044
Loa Loa (eye worm)	leucyl aminopeptidase	0.0046	0.0436	0.0422
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0296	0.0927
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0388
Onchocerca volvulus		0.0036	0.0296	0.091
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0296	0.0927
Brugia malayi	FXNA	0.0046	0.0436	0.1616
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0296	0.0282
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0191	0.028
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0105	0.0314
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0191	0.0181
Leishmania major	hypothetical protein, conserved	0.0046	0.0436	0.6865
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0296	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.009
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0191	0.0376
Brugia malayi	leucyl aminopeptidase	0.0046	0.0436	0.1616
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0689	0.9756	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0588	0.0588
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0388
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.031	0.1147
Leishmania major	hypothetical protein, conserved	0.0036	0.0296	0.3957
Schistosoma mansoni	ap endonuclease	0.0037	0.031	0.0469
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0296	0.0927
Schistosoma mansoni	hypothetical protein	0.0341	0.4711	0.7455
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0436	0.05
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0296	1
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0452	0.6314	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0438	0.0424
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.031	0.7001
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.0588	0.091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0438	0.0672
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0046	0.0436	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0282
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0296	0.0927
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0438	0.0434
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0046	0.0436	0.1365
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0436	0.0422
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0296	0.4177
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.031	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.031	0.5927
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0046	0.0436	0.0433
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0191	0.028
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0588	0.2177
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0296	0.0289
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0438	0.0901
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0191	0.028
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0296	0.9516
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0438	0.0434
Onchocerca volvulus		0.0036	0.0296	0.091
Plasmodium vivax	SET domain protein, putative	0.0029	0.0191	0.59
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0191	0.0177
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0126	0.2635
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0296	1
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0046	0.0436	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0643	0.9091	0.909
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0126	0.0111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0438	0.0672
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.031	0.0972
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0191	0.4186
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0296	0.0927
Onchocerca volvulus	Fxna peptidase homolog	0.0046	0.0436	0.1365
Onchocerca volvulus		0.0046	0.0436	0.1365
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0126	0.2635
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0436	0.05
Loa Loa (eye worm)	hypothetical protein	0.0469	0.6558	0.6553
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.1279
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3105	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0588	0.8603
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0105	0.1279
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0296	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0436	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0006
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0296	0.5476
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0046	0.0436	0.0669
Brugia malayi	hypothetical protein	0.0024	0.0126	0.0466
Toxoplasma gondii	ABC1 family protein	0.0036	0.0296	0.6669
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0191	0.028
Leishmania major	hypothetical protein, conserved	0.0024	0.0126	0.0436
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.031	0.0629
Brugia malayi	beta-lactamase family protein	0.0036	0.0296	0.1095
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.031	0.5927
Toxoplasma gondii	peptidase, M28 family protein	0.0046	0.0436	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.031	0.4389
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0046	0.0436	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0438	0.0901
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0588	0.8603
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0126	0.3642
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0126	0.3642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0438	0.0672
Mycobacterium tuberculosis	Conserved protein	0.0046	0.0436	0.1378
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.031	1
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0063	0.068	0.216
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0296	0.0927
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0046	0.0436	0.0433
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0046	0.0436	0.0898
Mycobacterium ulcerans	lipase LipD	0.0036	0.0296	0.4177
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0296	0.6669
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.031	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0105	0.1279
Onchocerca volvulus		0.0029	0.0191	0.0571
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0296	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0006
Schistosoma mansoni	hypothetical protein	0.0341	0.4711	0.7455
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.009
Brugia malayi	PA domain containing protein	0.0017	0.0015	0.0054
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0046	0.0436	0.05
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0046	0.0436	0.0433
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.031	0.005
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.1279
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.0588	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.031	1
Schistosoma mansoni	nicalin (M28 family)	0.0046	0.0436	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.009
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0126	0.3642
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0296	0.4177
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.27	0.2689
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.1279
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0176	0.0343
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0436	0.0422
Trypanosoma brucei	glutaminyl cyclase, putative	0.0046	0.0436	1
Brugia malayi	beta-lactamase	0.0036	0.0296	0.1095
Brugia malayi	Pre-SET motif family protein	0.0029	0.0191	0.0708
Echinococcus granulosus	geminin	0.0341	0.4711	1
Brugia malayi	Peptidase family M28 containing protein	0.0046	0.0436	0.1616
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0063	0.068	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0296	0.0446
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.031	1
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0046	0.0436	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.031	0.0303
Toxoplasma gondii	hypothetical protein	0.0046	0.0436	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.031	0.0296
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0436	0.6306
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0046	0.0436	0.0669
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0436	0.05
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0296	0.4177
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0296	0.0927
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0296	0.1095
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.031	0.005
Schistosoma mansoni	ap endonuclease	0.0037	0.031	0.0469
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0046	0.0436	0.0898

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.8 uM	Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.	ChEMBL.	9435909
Ki (binding)	= 2.8 uM	Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.	ChEMBL.	9435909
Ki (binding)	= 4.5 uM	Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.	ChEMBL.	9435909
Ki (binding)	= 4.5 uM	Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.	ChEMBL.	9435909
Selectivity ratio (binding)	= 0.6	Selectivity ratio as adenosine A1 receptor/adenosine A2A receptor.	ChEMBL.	9435909

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: CHEMBL136199
PubChem: 10542230

Bibliographic References

1 literature reference was 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 236982