TDR Targets

Basic information

Technical information

TDR Targets ID: 35117
Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)ethenyl] -7H-purine-2,6-dione
MW: 327.295 | Formula: C15H13N5O4
H donors: 1 H acceptors: 5 LogP: 1.75 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cccc(c1)/C=C/c1nc2c([nH]1)n(C)c(=O)n(c2=O)C
InChi: 1S/C15H13N5O4/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(8-9)20(23)24/h3-8H,1-2H3,(H,16,17)/b7-6+
InChiKey: OYYRSMIKUMPQPY-VOTSOKGWSA-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

1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-dione
1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-quinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A2 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
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
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 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0696	0.0754
Trichomonas vaginalis	ral, putative	0.0059	0.0653	0.0638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0653	0.2246
Trypanosoma cruzi	DNA polymerase eta, putative	0.0015	0.0021	0.0048
Entamoeba histolytica	ras-1, putative	0.0059	0.0653	0.1542
Schistosoma mansoni	single-minded	0.005	0.0524	0.0516
Brugia malayi	glutathione reductase	0.0039	0.0364	0.1239
Giardia lamblia	Fructose-bisphosphate aldolase	0.0298	0.4123	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.005	0.0524	0.0516
Echinococcus multilocularis	DNA topoisomerase 1	0.0193	0.2593	0.2587
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2216	0.7689
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0088	0.108	0.4962
Leishmania major	DNA polymerase eta, putative	0.0015	0.0021	0.0048
Onchocerca volvulus		0.003	0.0246	0.0722
Brugia malayi	MAP kinase sur-1	0.0062	0.0696	0.2395
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0268	0.0904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0032	0.0268	0.0582
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0696	0.0688
Brugia malayi	DNA topoisomerase I	0.0193	0.2593	0.9002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.0052	0.0074
Trichomonas vaginalis	rap1 and, putative	0.0059	0.0653	0.0638
Mycobacterium tuberculosis	Probable dehydrogenase	0.0088	0.108	0.4962
Echinococcus granulosus	dna polymerase kappa	0.0042	0.0417	0.0409
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0146	0.1914	0.8675
Trypanosoma brucei	unspecified product	0.0035	0.0318	0.0701
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0246	0.0238
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0246	0.0238
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.4123	1
Brugia malayi	Thioredoxin reductase	0.0039	0.0364	0.1239
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0433	0.1014
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0417	0.0932
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1917	0.4492
Toxoplasma gondii	hypothetical protein	0.005	0.0525	0.1187
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0015	0.0021	0.0012
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0039	0.0364	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0021	0.0043
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0059	0.0653	0.0638
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0696	0.1631
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0088	0.108	0.4962
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0098	0.1222	0.5629
Brugia malayi	bHLH-PAS transcription factor	0.0037	0.0337	0.1145
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0417	0.0437
Loa Loa (eye worm)	hypothetical protein	0.003	0.0246	0.0828
Mycobacterium ulcerans	hypothetical protein	0.0162	0.2155	1
Echinococcus granulosus	ras gtpase	0.0059	0.0653	0.0645
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0088	0.108	0.4962
Brugia malayi	polk-prov protein	0.0032	0.0268	0.0904
Leishmania major	DNA topoisomerase type IB small subunit	0.0048	0.0506	0.1185
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0298	0.4123	0.5
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0048	0.0506	0.1185
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.0052	0.0074
Echinococcus multilocularis	ras gtpase	0.0059	0.0653	0.0645
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0246	0.0238
Trichomonas vaginalis	dexras1, putative	0.0059	0.0653	0.0638
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0433	0.097
Echinococcus granulosus	single minded 2	0.0037	0.0337	0.0329
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0146	0.1914	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0696	0.1591
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0696	0.0688
Onchocerca volvulus		0.0037	0.0337	0.0997
Echinococcus multilocularis	dna polymerase kappa	0.0042	0.0417	0.0409
Plasmodium vivax	thioredoxin reductase, putative	0.0039	0.0364	0.0502
Loa Loa (eye worm)	glutathione reductase	0.0039	0.0364	0.1239
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0696	0.2395
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.1917	0.4465
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0119	0.0279
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0015	0.0021	0.0012
Loa Loa (eye worm)	Ras protein let-60	0.0059	0.0653	0.2246
Brugia malayi	ImpB/MucB/SamB family protein	0.0015	0.0021	0.0043
Echinococcus granulosus	DNA topoisomerase 1	0.0193	0.2593	0.2587
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0417	0.0437
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0098	0.1222	0.1705
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0417	0.0976
Plasmodium vivax	glutathione reductase, putative	0.0039	0.0364	0.0502
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0696	0.1631
Echinococcus multilocularis	dna polymerase eta	0.0015	0.0021	0.0012
Trypanosoma brucei	DNA polymerase kappa, putative	0.0032	0.0268	0.0582
Mycobacterium tuberculosis	Probable reductase	0.0088	0.108	0.4962
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0162	0.2155	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0433	0.1014
Loa Loa (eye worm)	thioredoxin reductase	0.0039	0.0364	0.1239
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0417	0.0976
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.023	0.0222
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0696	0.1631
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0696	0.0754
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0696	0.0688
Brugia malayi	PAS domain containing protein	0.005	0.0524	0.1795
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0144	0.1893	0.4408
Trichomonas vaginalis	rheb, putative	0.0059	0.0653	0.0638
Plasmodium falciparum	topoisomerase I	0.0193	0.2593	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0015	0.0021	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Trypanosoma brucei	DNA polymerase IV, putative	0.0035	0.0318	0.0701
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1917	0.4492
Brugia malayi	Pre-SET motif family protein	0.0212	0.288	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.288	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0146	0.1914	0.8871
Giardia lamblia	Kinase, CMGC MAPK	0.0062	0.0696	0.1441
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0246	0.0238
Echinococcus multilocularis	microtubule associated protein 2	0.0704	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0696	0.0754
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0015	0.0021	0.0012
Schistosoma mansoni	DNA topoisomerase type I	0.0144	0.1893	0.1886
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0246	0.0238
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.3305	0.7792
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0696	0.0688
Plasmodium vivax	topoisomerase I, putative	0.0193	0.2593	1
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0144	0.1893	0.4435
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0696	0.1631
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0088	0.108	0.4962
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0696	0.1917
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0696	0.0754
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0696	0.1631
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0417	0.0976
Echinococcus multilocularis	transfer RNA-Lys	0.0037	0.0337	0.0329
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0246	0.0238
Leishmania major	mitochondrial DNA polymerase beta	0.0308	0.4267	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0039	0.0364	0.0853
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.0371	0.0363
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0042	0.0417	0.0976
Brugia malayi	ImpB/MucB/SamB family protein	0.0015	0.0021	0.0043
Leishmania major	trypanothione reductase	0.0039	0.0364	0.0853
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.057	0.1335
Loa Loa (eye worm)	DNA topoisomerase I	0.0193	0.2593	0.9002
Mycobacterium tuberculosis	Probable oxidoreductase	0.0098	0.1222	0.5629
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0119	0.0231
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0119	0.046
Schistosoma mansoni	DNA polymerase eta	0.0015	0.0021	0.0012
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Schistosoma mansoni	DNA topoisomerase type I	0.0193	0.2593	0.2587
Toxoplasma gondii	thioredoxin reductase	0.0039	0.0364	0.0502
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0098	0.1222	0.5629
Entamoeba histolytica	Ras family GTPase	0.0059	0.0653	0.1542
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.0371	0.0363
Entamoeba histolytica	Ras family GTPase	0.0059	0.0653	0.1542
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0246	0.0238
Onchocerca volvulus		0.0242	0.3305	1
Leishmania major	DNA topoisomerase IB, large subunit	0.0144	0.1893	0.4435
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0308	0.4267	1
Toxoplasma gondii	DNA topoisomerase I, putative	0.0193	0.2593	1
Brugia malayi	hypoxia-induced factor 1	0.0154	0.2029	0.7039
Brugia malayi	Ras protein let-60	0.0059	0.0653	0.2246
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0015	0.0021	0.0012
Brugia malayi	hypothetical protein	0.0167	0.2216	0.7689
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0059	0.0653	0.0638
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0696	0.0688
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0119	0.0279
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0048	0.0506	0.1142
Trypanosoma brucei	protein kinase, putative	0.0062	0.0696	0.1591
Brugia malayi	Ras-related protein R-Ras2	0.0059	0.0653	0.2246
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0154	0.2029	0.7039
Schistosoma mansoni	DNA topoisomerase type I	0.0144	0.1893	0.1886
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.4267	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.0052	0.0074
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.4123	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0433	0.1014
Trypanosoma brucei	trypanothione reductase	0.0039	0.0364	0.0809
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0417	0.0932
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0417	0.0932
Brugia malayi	Pre-SET motif family protein	0.003	0.0246	0.0828
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0696	0.1631
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.4267	1
Echinococcus granulosus	dna polymerase eta	0.0015	0.0021	0.0012
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.4123	1
Schistosoma mansoni	microtubule-associated protein tau	0.0704	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 438 nM	Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand	ChEMBL.	8496902
Ki (binding)	= 438 nM	Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand	ChEMBL.	8496902
Ki (binding)	= 1060 nM	Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand	ChEMBL.	8496902
Ki (binding)	= 1060 nM	Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand	ChEMBL.	8496902
Ratio (binding)	= 2.4	Ratio between Ki of adenosine A1 receptor to that of adenosine A2 receptor	ChEMBL.	8496902

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: CHEMBL285339
PubChem: 11723956

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 35117