TDR Targets

Basic information

Technical information

TDR Targets ID: 347661
Name: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)me thylamino]purin-9-yl]-3,4-dihydroxy-N-(3-meth ylbutyl)thiolane-2-carboxamide
MW: 616.903 | Formula: C22H26ClIN6O3S
H donors: 4 H acceptors: 6 LogP: 4.35 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CC(CCNC(=O)[C@H]1S[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I)C
InChi: 1S/C22H26ClIN6O3S/c1-11(2)6-7-25-20(33)17-15(31)16(32)21(34-17)30-10-27-14-18(28-22(23)29-19(14)30)26-9-12-4-3-5-13(24)8-12/h3-5,8,10-11,15-17,21,31-32H,6-7,9H2,1-2H3,(H,25,33)(H,26,28,29)/t15-,16+,17-,21+/m0/s1
InChiKey: NOYXFRCIKJVZSD-GRXQJBFDSA-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

(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-isopentyl-tetrahydrothiophene-2-carboxamide
(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-isopentyl-2-tetrahydrothiophenecarboxamide
(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-3,4-dihydroxy-N-isoamyl-tetrahydrothiophene-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0091	0.0152
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0376	0.6031	0.6006
Toxoplasma gondii	peptidyl-prolyl isomerase FKBP12, putative	0.0052	0.0695	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0018	0.0135	0.0224
Schistosoma mansoni	multidrug resistance protein	0.0018	0.0135	0.0121
Echinococcus multilocularis	fmrfamide receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	fmrfamide receptor	0.0013	0.0063	0.0044
Trypanosoma brucei	macrophage infectivity potentiator, precursor, putative	0.0052	0.0695	0.1016
Trichomonas vaginalis	methionyl-tRNA synthetase, putative	0.0015	0.0091	0.0029
Leishmania major	p-glycoprotein	0.0014	0.0074	0.0123
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0378	0.607	0.7124
Echinococcus multilocularis	fk506 binding protein	0.0376	0.6031	0.7078
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0695	0.0668
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0018	0.0135	0.013
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0109	0.164	0.1902
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0091	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.0074	0.0058
Leishmania major	pentamidine resistance protein 1	0.0018	0.0135	0.0224
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0052	0.0695	0.0636
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Plasmodium falciparum	tRNA import protein tRIP	0.0015	0.0091	0.0029
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0378	0.607	1
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0695	0.1042
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0052	0.0695	0.0789
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.0074	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0376	0.6031	1
Echinococcus granulosus	neuropeptides capa receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0015	0.0091	0.0029
Entamoeba histolytica	hypothetical protein	0.0018	0.0135	0.0102
Echinococcus granulosus	inhibitor of apoptosis protein	0.0109	0.164	0.1902
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0013	0.0063	0.0044
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0014	0.0074	0.0123
Brugia malayi	POT family protein	0.0083	0.1209	0.1153
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0109	0.164	0.1902
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0376	0.6031	1
Trypanosoma brucei	p-glycoprotein	0.0018	0.0135	0.0074
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0013	0.0063	0.0044
Mycobacterium tuberculosis	Probable trigger factor (TF) protein Tig	0.0052	0.0695	1
Trichomonas vaginalis	fk506 binding protein, putative	0.0052	0.0695	0.1042
Onchocerca volvulus	Deterin homolog	0.0109	0.164	1
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0052	0.0695	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0013	0.0063	0.0044
Schistosoma mansoni	immunophilin	0.0378	0.607	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Trypanosoma cruzi	macrophage infectivity potentiator, precursor, putative	0.0052	0.0695	0.1152
Echinococcus granulosus	neuropeptide Y receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	biogenic amine 5HT receptor	0.0013	0.0063	0.0044
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0052	0.0695	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0013	0.0063	0.0044
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0326	0.5219	0.6121
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0109	0.164	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0135	0.0107
Echinococcus multilocularis	neuropeptide s receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0013	0.0063	0.0044
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0074	0.0019
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0018	0.0135	0.0224
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0052	0.0695	1
Onchocerca volvulus		0.0052	0.0695	0.4009
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Brugia malayi	multidrug resistance related protein 1	0.0018	0.0135	0.0073
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0052	0.0695	0.0668
Schistosoma mansoni	methionyl-tRNA synthetase	0.0015	0.0091	0.0048
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0052	0.0695	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Plasmodium vivax	methionine-tRNA ligase, putative	0.0015	0.0091	0.0029
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0013	0.0063	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0091	0.0029
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Trypanosoma brucei	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0052	0.0695	0.1016
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0019	0.0164	0.0122
Leishmania major	FKBP-type peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Echinococcus granulosus	7tm_1 domain containing protein	0.0013	0.0063	0.0044
Echinococcus multilocularis	somatostatin receptor	0.0013	0.0063	0.0044
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0018	0.0135	0.0074
Echinococcus granulosus	aminoacyl tRNA synthase complex interacting	0.0015	0.0091	0.0078
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0074	0.0019
Trichomonas vaginalis	fk506-binding protein, putative	0.0052	0.0695	0.1042
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.0015	0.0091	0.0279
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0376	0.6041	0.6016
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0376	0.6031	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0063	0.0034
Trichomonas vaginalis	immunophilin, putative	0.0376	0.6031	1
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0015	0.0091	0.0063
Brugia malayi	ABC transporter transmembrane region family protein	0.0018	0.0135	0.0073
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0014	0.007	0.0053
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0063	0.0034
Plasmodium vivax	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1042
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0378	0.607	0.7124
Schistosoma mansoni	smdr2	0.0014	0.0074	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0109	0.164	0.1615
Echinococcus granulosus	neuropeptide receptor	0.0013	0.0063	0.0044
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0376	0.6031	1
Echinococcus granulosus	somatostatin receptor	0.0013	0.0063	0.0044
Brugia malayi	ABC transporter family protein	0.0014	0.0074	0.0011
Brugia malayi	methionyl-tRNA synthetase	0.0015	0.0091	0.0029
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0091	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Leishmania major	hypothetical protein	0.0015	0.0091	0.0152
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.0074	0.0058
Entamoeba histolytica	hypothetical protein	0.0015	0.0091	0.0029
Leishmania major	hypothetical protein, conserved	0.0015	0.0091	0.0152
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0052	0.0695	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0526	0.8511	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0018	0.0135	0.0102
Toxoplasma gondii	tRNA binding domain-containing protein	0.0015	0.0091	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0695	0.1016
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Echinococcus granulosus	g-protein coupled receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0013	0.0063	0.0044
Entamoeba histolytica	ABC transporter, putative	0.0018	0.0135	0.0102
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0376	0.6031	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0326	0.5219	0.6121
Echinococcus multilocularis	neuropeptide receptor A26	0.0013	0.0063	0.0044
Echinococcus multilocularis	neuropeptide Y receptor	0.0013	0.0063	0.0044
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.0019	0.0164	0.015
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0376	0.6031	1
Echinococcus granulosus	neuropeptide Y receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.0135	0.0102
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0018	0.0135	0.0224
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0018	0.0135	0.0224
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0013	0.0063	0.0044
Leishmania major	peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative	0.0052	0.0695	0.1152
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0063	0.0044
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0052	0.0695	0.1035
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0052	0.0695	0.0636
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0015	0.0091	0.0152
Leishmania major	tyrosyl-tRNA synthetase, putative	0.0019	0.0164	0.0271
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0063	0.0044
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0052	0.0695	0.1016
Echinococcus granulosus	tm gpcr rhodopsin	0.0013	0.0063	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0695	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0135	0.0107
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.0015	0.0091	0.0279
Brugia malayi	multidrug resistance protein 3	0.0014	0.0074	0.0011
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0376	0.6031	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0013	0.0063	0.0044
Echinococcus granulosus	biogenic amine 5HT receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	dro:myosuppressin receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	fmrfamide receptor	0.0013	0.0063	0.0044
Toxoplasma gondii	methionyl-tRNA synthetase	0.0015	0.0091	0.0279
Leishmania major	fk506-binding protein 1-like protein	0.0376	0.6031	1
Toxoplasma gondii	tRNA synthetases class I family protein	0.0019	0.0164	0.1443
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0018	0.0135	0.0107
Echinococcus multilocularis	G protein coupled receptor 139	0.0013	0.0063	0.0044
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0013	0.0063	0.0034
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.0074	0.0058
Echinococcus granulosus	tyrosyl tRNA synthetase	0.0035	0.0412	0.0456
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Leishmania major	ABC-thiol transporter	0.0018	0.0135	0.0224
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0013	0.0063	0.0034
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0376	0.6031	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Entamoeba histolytica	tyrosyl-tRNA synthetase, putative	0.0019	0.0164	0.0149
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.0074	0.0058
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0617	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	orexin receptor type 2	0.0013	0.0063	0.0044
Loa Loa (eye worm)	FKBP5 protein	0.0376	0.6031	0.602
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0074	0.0045
Giardia lamblia	Tyrosyl-tRNA synthetase	0.0019	0.0164	0.0122
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0018	0.0135	0.0074
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	0.0135	0.0074
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0376	0.6031	0.9935
Echinococcus granulosus	7TM GPCR rhodopsin	0.0013	0.0063	0.0044
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.0074	0.0058
Echinococcus multilocularis	orexin receptor type 2	0.0013	0.0063	0.0044
Trichomonas vaginalis	fk506-binding protein, putative	0.0052	0.0695	0.1042
Schistosoma mansoni	inhibitor of apoptosis protein	0.0109	0.164	0.2625
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.0074	0.0058
Schistosoma mansoni	multidrug resistance protein	0.0018	0.0135	0.0121
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.0074	0.0058
Echinococcus granulosus	G protein coupled receptor 139	0.0013	0.0063	0.0044
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0052	0.0695	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0013	0.0063	0.0044
Trichomonas vaginalis	fk506-binding protein, putative	0.0376	0.6031	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.0074	0.0058
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1035
Echinococcus multilocularis	allatostatin A receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0526	0.8511	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0018	0.0135	0.013
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0376	0.6031	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0074	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Giardia lamblia	ABC transporter, putative	0.0018	0.0135	0.0074
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0376	0.6031	0.7078
Echinococcus multilocularis	tyrosyl tRNA synthetase	0.0035	0.0412	0.0456
Echinococcus granulosus	hypothetical protein	0.0013	0.0063	0.0044
Echinococcus granulosus	neuropeptide receptor A26	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0325	0.5189	0.5175
Echinococcus granulosus	neuropeptide s receptor	0.0013	0.0063	0.0044
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0052	0.0695	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0376	0.6031	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0063	0.0034
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.0074	0.0058
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0013	0.0063	0.0044
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.0135	0.0102
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0013	0.0063	0.0044
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.0074	0.0058
Echinococcus granulosus	neuropeptide FF receptor 2	0.0013	0.0063	0.0044
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0378	0.607	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Echinococcus granulosus	sex peptide receptor	0.0013	0.0063	0.0044
Leishmania major	p-glycoprotein e	0.0018	0.0135	0.0224
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0018	0.0135	0.0224
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0013	0.0063	0.0044
Echinococcus multilocularis	ATP binding cassette sub family B	0.0014	0.007	0.0053
Schistosoma mansoni	multidrug resistance protein	0.0018	0.0135	0.0121
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0.0091	0.0152
Echinococcus granulosus	dro:myosuppressin receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0013	0.0063	0.0034
Schistosoma mansoni	fk506 binding protein	0.0052	0.0695	0.1052
Onchocerca volvulus		0.0052	0.0704	0.4068
Trypanosoma cruzi	hypothetical protein	0.0011	0.0025	0.0042
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0052	0.0695	0.0668
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0109	0.164	0.1587
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0109	0.164	0.1902
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0376	0.6031	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.0135	0.0102
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1042
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0013	0.0063	0.0044
Loa Loa (eye worm)	POT family protein	0.0083	0.1209	0.1183
Leishmania major	tyrosyl or methionyl-tRNA synthetase-like protein	0.0015	0.0091	0.0152
Schistosoma mansoni	hypothetical protein	0.0052	0.0695	0.1052
Schistosoma mansoni	multidrug resistance protein	0.0018	0.0135	0.0121
Trypanosoma brucei	hypothetical protein, conserved	0.0052	0.0695	0.1016
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0063	0.0044
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	0.0135	0.0074
Echinococcus multilocularis		0.0052	0.0695	0.0789
Onchocerca volvulus		0.0014	0.0074	0.0072
Echinococcus granulosus	serotonin receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1016
Plasmodium falciparum	tyrosine--tRNA ligase	0.0019	0.0164	0.015
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0013	0.0063	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0091	0.0029
Echinococcus multilocularis	neuropeptide receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	neuropeptide Y receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	serotonin receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0376	0.6031	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.0074	0.0058
Loa Loa (eye worm)	multidrug resistance protein 3	0.0014	0.0074	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Schistosoma mansoni	tyrosyl-tRNA synthetase	0.0035	0.0412	0.0581
Echinococcus multilocularis	neuropeptide receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	neuropeptide receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0014	0.0074	0.0045
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0376	0.6031	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0013	0.0063	0.0044
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0013	0.0063	0.0034
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0054	0.0734	0.0835
Echinococcus multilocularis	serotonin receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	multidrug resistance associated protein 1	0.0018	0.0135	0.013
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Entamoeba histolytica	hypothetical protein	0.0015	0.0091	0.0029
Echinococcus granulosus	tm gpcr rhodopsin	0.0013	0.0063	0.0044
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0376	0.6031	0.602
Loa Loa (eye worm)	hypothetical protein	0.0109	0.164	0.1615
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Giardia lamblia	Multidrug resistance-associated protein 1	0.0017	0.0131	0.0067
Echinococcus granulosus	FK506 binding protein 2	0.0052	0.0695	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Giardia lamblia	Hypothetical protein	0.0052	0.0695	0.1016
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0052	0.0695	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0013	0.0063	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Leishmania major	peptidylprolyl isomerase-like protein	0.0376	0.6031	1
Echinococcus multilocularis	aminoacyl tRNA synthase complex interacting	0.0015	0.0091	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0014	0.007	0.0041
Schistosoma mansoni	hypothetical protein	0.0109	0.164	0.2625
Schistosoma mansoni	immunophilin	0.0378	0.607	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0376	0.6031	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.0074	0.0058
Giardia lamblia	MRP-like ABC transporter	0.0018	0.0135	0.0074
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0018	0.0135	0.0985
Echinococcus multilocularis	sex peptide receptor	0.0013	0.0063	0.0044
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0052	0.0695	0.1016
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0074	0.0019
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	0.0135	0.0224
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	0.0019	0.0164	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	melatonin receptor type 1A	0.0013	0.0063	0.0034
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.0074	0.0058
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD)	0.0052	0.0695	0.1016
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Echinococcus granulosus	multidrug resistance associated protein 7	0.0018	0.0135	0.013
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	0.0135	0.0224
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0013	0.0063	0.0034
Mycobacterium leprae	PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG	0.0052	0.0695	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0013	0.0063	0.0044
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0052	0.0695	0.1152
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0052	0.0695	1
Echinococcus granulosus	allatostatin A receptor	0.0013	0.0063	0.0044
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	TYRA-2 protein	0.0013	0.0063	0.0034
Plasmodium vivax	tyrosine--tRNA ligase, putative	0.0019	0.0164	0.015
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Onchocerca volvulus		0.0109	0.164	1
Trypanosoma brucei	multidrug resistance protein E	0.0018	0.0135	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Schistosoma mansoni	immunophilin	0.0326	0.5219	0.8582
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.0135	0.0102
Echinococcus granulosus	neuropeptides capa receptor	0.0013	0.0063	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0063	0.0034
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0109	0.164	0.1587
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0015	0.0091	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0131	0.0103
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0063	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0063	0.0044

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 12 %	Maximal agonistic effect at human adenosine A3 receptor in CHO cells at 10 uM by inhibition of forskolin-stimulated cAMP prodution	ChEMBL.	16392812
Activity (functional)	= 12 %	Maximal agonistic effect at human adenosine A3 receptor in CHO cells at 10 uM by inhibition of forskolin-stimulated cAMP prodution	ChEMBL.	16392812
Inhibition (binding)	= 31 %	Inhibition of [3H]R-PIA binding to human adenosine A1 receptor transfected in CHO cells at 10 uM	ChEMBL.	16392812
Inhibition (binding)	= 31 %	Inhibition of [3H]CGS21680 binding to human adenosine A2A receptor transfected in HEK293 cells at 10 uM	ChEMBL.	16392812
Inhibition (binding)	= 31 %	Inhibition of [3H]R-PIA binding to human adenosine A1 receptor transfected in CHO cells at 10 uM	ChEMBL.	16392812
Inhibition (binding)	= 31 %	Inhibition of [3H]CGS21680 binding to human adenosine A2A receptor transfected in HEK293 cells at 10 uM	ChEMBL.	16392812
Ki (binding)	= 41.9 nM	Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells	ChEMBL.	16392812
Ki (binding)	= 41.9 nM	Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells	ChEMBL.	16392812

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: CHEMBL200919
PubChem: 11650245

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 347661