TDR Targets

Basic information

Technical information

TDR Targets ID: 151371
Name: 2-bromo-N-[3-(2,6-dioxo-1,3-dipropyl-7H-purin -8-yl)propyl]acetamide
MW: 414.297 | Formula: C16H24BrN5O3
H donors: 2 H acceptors: 4 LogP: 2.16 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)CCCNC(=O)CBr
InChi: 1S/C16H24BrN5O3/c1-3-8-21-14-13(15(24)22(9-4-2)16(21)25)19-11(20-14)6-5-7-18-12(23)10-17/h3-10H2,1-2H3,(H,18,23)(H,19,20)
InChiKey: ROIJQCVJQSWTTQ-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

2-bromo-N-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)propyl]ethanamide
2-bromo-N-[3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)propyl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A2 receptor	Starlite/ChEMBL	References
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
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A2 receptor	410 aa	368 aa	22.6 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A2 receptor	410 aa	342 aa	23.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A2 receptor	410 aa	342 aa	23.1 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A2 receptor	410 aa	372 aa	22.8 %
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A2 receptor	410 aa	352 aa	23.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Schistosoma mansoni	CREB-binding protein 2	0.0199	0.1239	0.1239
Brugia malayi	Cytochrome P450 family protein	0.0106	0.0477	0.0477
Echinococcus granulosus	bromodomain containing protein 8	0.0091	0.0359	0.0359
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0036	0.0036
Onchocerca volvulus		0.0571	0.4274	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	hypothetical protein	0.01	0.0432	0.0432
Echinococcus multilocularis	plexin a4	0.0139	0.0746	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0571	0.0571
Brugia malayi	Cytochrome P450 family protein	0.0106	0.0477	0.0477
Echinococcus granulosus	zinc finger protein	0.0091	0.0359	0.0359
Echinococcus granulosus	Bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	cytochrome P450 family protein	0.0106	0.0477	0.0477
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0047	0	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Plasmodium falciparum	bromodomain protein, putative	0.0091	0.0359	0.5
Schistosoma mansoni	plexin	0.0117	0.0571	0.0571
Echinococcus multilocularis	bromodomain containing 2	0.1272	1	1
Trypanosoma brucei	Bromodomain factor 1	0.0091	0.0359	0.4332
Echinococcus multilocularis	hypothetical protein	0.0049	0.0014	0.0014
Trypanosoma brucei	cytochrome P450, putative	0.0106	0.0477	0.5757
Schistosoma mansoni	polybromo-1	0.0091	0.0359	0.0359
Trypanosoma cruzi	Bromodomain, putative	0.0091	0.0359	0.7525
Brugia malayi	hypothetical protein	0.0479	0.353	0.353
Schistosoma mansoni	plexin	0.0068	0.0171	0.0171
Echinococcus granulosus	polybromo 1	0.0091	0.0359	0.0359
Trichomonas vaginalis	conserved hypothetical protein	0.0701	0.5341	0.5168
Trypanosoma brucei	bromodomain factor 2 protein, putative	0.0091	0.0359	0.4332
Schistosoma mansoni	transcription initiation factor tfiid	0.0091	0.0359	0.0359
Entamoeba histolytica	bromodomain-containing protein	0.0571	0.4274	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0047	0	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0106	0.0477	1
Leishmania major	hypothetical protein, conserved	0.0091	0.0359	0.7525
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Schistosoma mansoni	bromodomain containing protein	0.0091	0.0359	0.0359
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.01	0.0432	0.0432
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Schistosoma mansoni	phd finger protein	0.0091	0.0359	0.0359
Echinococcus multilocularis	global transcription activator snf2l2	0.0091	0.0359	0.0359
Brugia malayi	polybromodomain protein	0.0091	0.0359	0.0359
Toxoplasma gondii	bromodomain-containing protein	0.0091	0.0359	0.0839
Trichomonas vaginalis	bromodomain-containing protein, putative	0.1272	1	1
Echinococcus multilocularis	CREB binding protein	0.0164	0.0958	0.0958
Giardia lamblia	Kinase, putative	0.0571	0.4274	1
Schistosoma mansoni	hypothetical protein	0.0091	0.0359	0.0359
Schistosoma mansoni	bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Echinococcus granulosus	transcription initiation factor TFIID subunit 1	0.0091	0.0359	0.0359
Loa Loa (eye worm)	BRM protein	0.0091	0.0359	0.0359
Trypanosoma cruzi	cytochrome P450, putative	0.0106	0.0477	1
Schistosoma mansoni	hypothetical protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Brugia malayi	PHD-finger family protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	cytochrome P450 family protein	0.0174	0.1038	0.1038
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Leishmania major	ATPase, putative	0.0057	0.0084	0.1768
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0171	0.0171
Echinococcus granulosus	Bromodomain containing protein	0.0091	0.0359	0.0359
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0091	0.0359	0.5
Leishmania major	cytochrome p450-like protein	0.0106	0.0477	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0047	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Echinococcus granulosus	semaphorin 5B	0.0049	0.0014	0.0014
Leishmania major	hypothetical protein, conserved,predicted bromodomain protein	0.0091	0.0359	0.7525
Plasmodium vivax	hypothetical protein, conserved	0.0091	0.0359	0.5
Leishmania major	hypothetical protein, conserved	0.0091	0.0359	0.7525
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0047	0	0.5
Brugia malayi	hypothetical protein	0.0049	0.0014	0.0014
Entamoeba histolytica	bromodomain-containing protein	0.0571	0.4274	1
Brugia malayi	Plexin repeat family protein	0.0117	0.0571	0.0571
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.01	0.0432	0.0432
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.01	0.0432	0.0432
Echinococcus granulosus	global transcription activator snf2l2	0.0091	0.0359	0.0359
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0571	0.4274	0.4061
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0088	0.0333	0.0333
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0088	0.0333	0.0333
Brugia malayi	plexin A	0.0139	0.0746	0.0746
Schistosoma mansoni	hypothetical protein	0.0049	0.0014	0.0014
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Brugia malayi	polybromodomain protein	0.0091	0.0359	0.0359
Echinococcus granulosus	PH interacting protein	0.0091	0.0359	0.0359
Leishmania major	DNA-binding protein, putative,predicted bromodomain protein	0.0091	0.0359	0.7525
Trichomonas vaginalis	bromodomain containing protein, putative	0.0571	0.4274	0.4061
Echinococcus multilocularis	bromodomain containing protein 8	0.0091	0.0359	0.0359
Trypanosoma brucei	Bromodomain, putative	0.0091	0.0359	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Brugia malayi	TAZ zinc finger family protein	0.0199	0.1239	0.1239
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0047	0	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0088	0.0333	0.0333
Plasmodium vivax	SET domain containing protein	0.0091	0.0359	0.5
Echinococcus granulosus	peregrin	0.0091	0.0359	0.0359
Schistosoma mansoni	hypothetical protein	0.0091	0.0359	0.0359
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0792	0.6085	0.5939
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	CBP-B	0.0165	0.0966	0.0966
Trypanosoma brucei	Bromodomain, putative	0.0091	0.0359	0.4332
Brugia malayi	Bromodomain containing protein	0.1272	1	1
Schistosoma mansoni	helicase	0.0091	0.0359	0.0359
Entamoeba histolytica	bromodomain-containing protein	0.0571	0.4274	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0091	0.0359	0.0359
Loa Loa (eye worm)	sema domain-containing protein	0.0049	0.0014	0.0014
Toxoplasma gondii	bromodomain-containing protein	0.0571	0.4274	1
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.01	0.0432	0.0432
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Brugia malayi	Sema domain containing protein	0.0049	0.0014	0.0014
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0047	0	0.5
Trypanosoma brucei	Bromodomain, putative	0.0091	0.0359	0.4332
Mycobacterium leprae	Conserved hypothetical protein	0.0047	0	0.5
Schistosoma mansoni	hypothetical protein	0.0091	0.0359	0.0359
Trichomonas vaginalis	bromodomain-containing protein, putative	0.1272	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Schistosoma mansoni	hypothetical protein	0.0049	0.0014	0.0014
Trypanosoma cruzi	bromodomain factor 2 protein	0.0091	0.0359	0.7525
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0014	0.0014
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0047	0	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0091	0.0359	0.0839
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0047	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0047	0	0.5
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	bromodomain containing protein	0.0091	0.0359	0.0359
Echinococcus granulosus	CREB binding protein	0.0157	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Brugia malayi	acetyltransferase, GNAT family protein	0.0091	0.0359	0.0359
Schistosoma mansoni	semaphorin 5-related	0.0049	0.0014	0.0014
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0088	0.0333	0.0333
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0047	0	0.5
Plasmodium falciparum	bromodomain protein 2, putative	0.0091	0.0359	0.5
Echinococcus granulosus	ATPase family AAA domain containing protein 2B	0.0149	0.0828	0.0828
Schistosoma mansoni	hypothetical protein	0.0068	0.0171	0.0171
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.01	0.0432	0.1012
Echinococcus granulosus	CREB binding protein	0.0199	0.1239	0.1239
Loa Loa (eye worm)	cytochrome P450 family protein	0.0106	0.0477	0.0477
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0047	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0091	0.0359	0.7525
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	bromodomain containing protein	0.0571	0.4274	0.4274
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Echinococcus multilocularis	Bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Echinococcus multilocularis	Bromodomain containing protein	0.0571	0.4274	0.4274
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0091	0.0359	0.0839
Trypanosoma cruzi	ATPase, putative	0.0057	0.0084	0.1768
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0047	0	0.5
Echinococcus multilocularis	semaphorin 5B	0.0049	0.0014	0.0014
Onchocerca volvulus		0.0091	0.0359	0.0809
Brugia malayi	ATPase, AAA family protein	0.0149	0.0828	0.0828
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.01	0.0432	0.0188
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.0571	0.4274	0.4061
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0084
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.1272	1	1
Brugia malayi	Cytochrome P450 family protein	0.0174	0.1038	0.1038
Echinococcus multilocularis	protein kinase C binding protein 1	0.0091	0.0359	0.0359
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	hypothetical protein	0.1272	1	1
Echinococcus granulosus	protein kinase C binding protein 1	0.0091	0.0359	0.0359
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.01	0.0432	0.0432
Plasmodium vivax	bromodomain protein, putative	0.0091	0.0359	0.5
Onchocerca volvulus	Bromodomain adjacent to zinc finger domain protein 1A homolog	0.0091	0.0359	0.0809
Echinococcus granulosus	bromodomain containing 2	0.1272	1	1
Trypanosoma brucei	AAA ATPase, putative	0.0149	0.0828	1
Trypanosoma cruzi	Bromodomain, putative	0.0091	0.0359	0.7525
Trypanosoma cruzi	Bromodomain, putative	0.0091	0.0359	0.7525
Echinococcus multilocularis	zinc finger protein	0.0091	0.0359	0.0359
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0091	0.0359	0.0839
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Schistosoma mansoni	zinc finger protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	sema domain-containing protein	0.0049	0.0014	0.0014
Echinococcus multilocularis	polybromo 1	0.0091	0.0359	0.0359
Echinococcus granulosus	plexin a4	0.0139	0.0746	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Trypanosoma cruzi	Bromodomain, putative	0.0091	0.0359	0.7525
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0091	0.0359	0.0839
Brugia malayi	BRM protein	0.0091	0.0359	0.0359
Echinococcus multilocularis	ATPase family AAA domain containing protein 2B	0.0149	0.0828	0.0828
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Echinococcus multilocularis	peregrin	0.0091	0.0359	0.0359
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0047	0	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0091	0.0359	0.0359
Brugia malayi	hypothetical protein	0.0049	0.0014	0.0014
Trypanosoma cruzi	Bromodomain, putative	0.0091	0.0359	0.7525
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0047	0	0.5
Brugia malayi	bromodomain containing protein	0.0091	0.0359	0.0359
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0199	0.1239	0.1239
Schistosoma mansoni	bromodomain containing	0.0091	0.0359	0.0359
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	CYP4Cod1	0.0106	0.0477	0.0477
Toxoplasma gondii	histone acetyltransferase TAF1/250	0.0091	0.0359	0.0839
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0047	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0047	0	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0047	0	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Trichomonas vaginalis	conserved hypothetical protein	0.0571	0.4274	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0092	0.0092
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Schistosoma mansoni	bromodomain containing protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0047	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0047	0	0.5
Brugia malayi	Bromodomain containing protein	0.0091	0.0359	0.0359
Toxoplasma gondii	bromodomain-containing protein	0.0091	0.0359	0.0839
Trichomonas vaginalis	bromodomain containing protein, putative	0.0792	0.6085	0.5939
Plasmodium falciparum	bromodomain protein 1	0.0091	0.0359	0.5
Onchocerca volvulus		0.0091	0.0359	0.0809
Echinococcus multilocularis	PH interacting protein	0.0091	0.0359	0.0359
Loa Loa (eye worm)	acetyltransferase	0.0091	0.0359	0.0359
Trypanosoma cruzi	cytochrome P450, putative	0.0106	0.0477	1
Plasmodium vivax	bromodomain protein, putative	0.0091	0.0359	0.5
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0091	0.0359	0.5
Toxoplasma gondii	hypothetical protein	0.0091	0.0359	0.0839
Echinococcus multilocularis		0.0091	0.0359	0.0359
Echinococcus granulosus	semaphorin 1A	0.0049	0.0014	0.0014
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0792	0.6085	0.5939
Toxoplasma gondii	bromodomain-containing protein	0.0091	0.0359	0.0839
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0091	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0828	0.0828
Trypanosoma cruzi	Bromodomain factor 1	0.0091	0.0359	0.7525
Onchocerca volvulus		0.0117	0.0571	0.1307
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.0359
Toxoplasma gondii	bromodomain-containing protein	0.0091	0.0359	0.0839
Brugia malayi	Sema domain containing protein	0.0049	0.0014	0.0014
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0792	0.6085	0.5939
Trichomonas vaginalis	conserved hypothetical protein	0.0792	0.6085	0.5939
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0571	0.4274	0.4061
Onchocerca volvulus	Brd8 homolog	0.0091	0.0359	0.0809
Mycobacterium leprae	putative cytochrome p450	0.0047	0	0.5
Trypanosoma cruzi	bromodomain-containing protein 3	0.0091	0.0359	0.7525
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0091	0.0359	0.0359
Plasmodium vivax	bromodomain protein, putative	0.0091	0.0359	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0047	0	0.5
Loa Loa (eye worm)	plexin A	0.0139	0.0746	0.0746

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.6 uM	Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.	ChEMBL.	8064798
IC50 (binding)	= 0.6 uM	Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.	ChEMBL.	8064798
IC50 (binding)	= 28 uM	Inhibition of [3H]-NECA binding to A2 adenosine receptor of PC12 cell membranes IC50 vs [3H]-NECA	ChEMBL.	8064798
IC50 (binding)	= 28 uM	Inhibition of [3H]-NECA binding to A2 adenosine receptor of PC12 cell membranes IC50 vs [3H]-NECA	ChEMBL.	8064798
Kd (binding)	= 28 nM	Binding of [3H]-NECA to A2 adenosine receptor,(post-Xanthine)	ChEMBL.	8064798
Kd (binding)	= 28 nM	Binding of [3H]-NECA to A2 adenosine receptor,(post-Xanthine)	ChEMBL.	8064798
Loss (binding)	= 0 %	Loss of [3H]-NECA binding to A2 adenosine receptor at 50 uM	ChEMBL.	8064798
Loss (binding)	= 0 %	Loss of [3H]-NECA binding to A2 adenosine receptor at 50 uM	ChEMBL.	8064798
Loss (binding)	= 28 %	Loss of [3H]-CPX binding to A1 adenosine receptor of DDT1 MF-2 (DDT) cells at 10 microM	ChEMBL.	8064798
Loss (binding)	= 28 %	Loss of [3H]-CPX binding to A1 adenosine receptor of DDT1 MF-2 (DDT) cells at 10 microM	ChEMBL.	8064798

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: CHEMBL92906
PubChem: 10387069

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 151371