TDR Targets

Basic information

Technical information

TDR Targets ID: 189053
Name: 6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-1,3-thi azol-2-yl]amino]-3H-2-benzofuran-1-one
MW: 398.432 | Formula: C20H18N2O5S
H donors: 1 H acceptors: 2 LogP: 4.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1csc(n1)NC1OC(=O)c2c1ccc(c2OC)OC
InChi: 1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
InChiKey: WAYRGHRXDAAAOU-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

6,7-dimethoxy-3-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3H-isobenzofuran-1-one
6,7-dimethoxy-3-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-3H-isobenzofuran-1-one
6,7-dimethoxy-3-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]phthalide
Oprea1_784792
STK098099

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
Schistosoma mansoni	importin beta-1	0.0028	0.0068	0.0196
Brugia malayi	RNA, U transporter 1	0.0081	0.054	0.1789
Schistosoma mansoni	histone deacetylase	0.0231	0.1895	0.5508
Schistosoma mansoni	histone deacetylase 1 2 3	0.0099	0.0707	0.2055
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0231	0.1895	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0792	0.2626
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0356	0.3015	1
Onchocerca volvulus	Huntingtin homolog	0.0122	0.0909	0.2527
Leishmania major	C-8 sterol isomerase-like protein	0.0356	0.3015	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.128	0.4246
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0379	0.1257
Trypanosoma brucei	histone deacetylase 3	0.0208	0.1687	0.5595
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Trypanosoma brucei	histone deacetylase, putative	0.0208	0.1687	0.5595
Plasmodium falciparum	importin beta, putative	0.0028	0.0068	0.0357
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0379	0.1102
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0069	0.0434	0.1441
Schistosoma mansoni	histone deacetylase hda2	0.0099	0.0707	0.2055
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Brugia malayi	Histone deacetylase family protein	0.0208	0.1687	0.5595
Schistosoma mansoni	histone deacetylase hda2	0.0214	0.1741	0.5061
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0069	0.0434	0.1263
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0068	0.0224
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Onchocerca volvulus		0.0047	0.0231	0.0526
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0379	0.1102
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0069	0.0434	0.1263
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0069	0.0434	0.1263
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0069	0.0434	0.1441
Trypanosoma brucei	histone deacetylase 2	0.0099	0.0707	0.2344
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0069	0.0434	0.1441
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0356	0.3015	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0069	0.0434	0.1441
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Loa Loa (eye worm)	histone deacetylase 11	0.0099	0.0707	0.2344
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0069	0.0434	0.1441
Schistosoma mansoni	peptidase	0.0069	0.0434	0.1263
Giardia lamblia	Histone deacetylase	0.0231	0.1895	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0208	0.1687	0.8905
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.1869	0.5434
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.1687	0.5595
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0053	0.0154
Plasmodium vivax	histone deacetylase 2, putative	0.0208	0.1687	0.8905
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0356	0.3015	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0379	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0846	0.2804
Trypanosoma brucei	histone deacetylase 1	0.0231	0.1895	0.6283
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0069	0.0434	0.2293
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0403	0.344	1
Trypanosoma cruzi	histone deacetylase, putative	0.0099	0.0707	0.2344
Schistosoma mansoni	lamin	0.0027	0.0053	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0707	0.2344
Entamoeba histolytica	hypothetical protein	0.0023	0.0019	0.0101
Brugia malayi	Importin beta-1 subunit	0.0028	0.0068	0.0224
Echinococcus granulosus	snurportin 1	0.0303	0.2545	0.7397
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Brugia malayi	intermediate filament protein	0.0027	0.0053	0.0176
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1869	0.6198
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0019	0.0101
Brugia malayi	histone deacetylase 11	0.0099	0.0707	0.2344
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0069	0.0434	0.1441
Echinococcus granulosus	lamin dm0	0.0027	0.0053	0.0154
Echinococcus multilocularis	lamin	0.0027	0.0053	0.0154
Brugia malayi	Histone deacetylase family protein	0.0208	0.1687	0.5595
Onchocerca volvulus		0.0069	0.0434	0.1126
Echinococcus granulosus	histone deacetylase 1	0.0231	0.1895	0.5508
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0068	0.0224
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0231	0.0672
Trypanosoma cruzi	histone deacetylase 1, putative	0.0231	0.1895	0.6283
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.1869	0.5434
Echinococcus multilocularis	histone deacetylase 6	0.0208	0.1687	0.4905
Echinococcus multilocularis	histone deacetylase 3	0.0231	0.1895	0.5508
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0379	0.1257
Echinococcus multilocularis	histone deacetylase 7	0.0208	0.1687	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0069	0.0434	0.2293
Schistosoma mansoni	protease m14 carboxypeptidase	0.0069	0.0434	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0909	0.3014
Toxoplasma gondii	histone deacetylase HDAC5	0.0099	0.0707	0.3731
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.1687	0.5595
Brugia malayi	hypothetical protein	0.0122	0.0909	0.3014
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0069	0.0434	0.2293
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0069	0.0434	0.1441
Echinococcus multilocularis	histone deacetylase 6	0.0208	0.1687	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Echinococcus multilocularis	histone deacetylase 8	0.0099	0.0707	0.2055
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0379	0.1102
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.1687	0.5595
Echinococcus granulosus	intermediate filament protein	0.0027	0.0053	0.0154
Brugia malayi	hypothetical protein	0.0228	0.1869	0.6198
Echinococcus multilocularis		0.0069	0.0434	0.1263
Loa Loa (eye worm)	histone deacetylase 7A	0.0208	0.1687	0.5595
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Loa Loa (eye worm)	zinc carboxypeptidase	0.0069	0.0434	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0334	0.2817	0.9342
Loa Loa (eye worm)	histone deacetylase 1	0.0231	0.1895	0.6283
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0068	0.0196
Toxoplasma gondii	histone deacetylase HDAC3	0.0231	0.1895	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0099	0.0707	0.1931
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0379	0.1257
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Leishmania major	histone deacetylase, putative	0.0208	0.1687	0.5595
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0049	0.0162
Echinococcus granulosus	histone deacetylase 6	0.0208	0.1687	0.4905
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0069	0.0434	0.1441
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0068	0.0357
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0019	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Toxoplasma gondii	histone deacetylase HDAC4	0.0099	0.0707	0.3731
Echinococcus granulosus	histone deacetylase 3	0.0231	0.1895	0.5508
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0019	0.0064
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1263
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0019	0.0064
Plasmodium falciparum	histone deacetylase 2	0.0208	0.1687	0.8905
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0069	0.0434	0.1441
Toxoplasma gondii	histone deacetylase HDAC2	0.0231	0.1895	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Echinococcus multilocularis	histone deacetylase 1	0.0231	0.1895	0.5508
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0379	0.1102
Brugia malayi	RNA binding protein	0.0063	0.0379	0.1257
Leishmania major	histone deacetylase, putative	0.0208	0.1687	0.5595
Trypanosoma cruzi	histone deacetylase, putative	0.0099	0.0707	0.2344
Echinococcus granulosus	histone deacetylase	0.0208	0.1687	0.4905
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0019	0.0101
Schistosoma mansoni	hypothetical protein	0.0303	0.2545	0.7397
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0069	0.0434	0.2293
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0053	0.0176
Brugia malayi	histone deacetylase 1 (HD1)	0.0231	0.1895	0.6283
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0434	0.2293
Trypanosoma cruzi	histone deacetylase 1, putative	0.0231	0.1895	0.6283
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Loa Loa (eye worm)	histone deacetylase	0.0208	0.1687	0.5595
Mycobacterium ulcerans	short chain dehydrogenase	0.1131	1	0.5
Toxoplasma gondii	flagellar/basal body protein	0.0069	0.0434	0.2293
Echinococcus granulosus	histone deacetylase 6	0.0214	0.1741	0.5061
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0069	0.0434	0.1441
Brugia malayi	histone deacetylase 3 (HD3)	0.0231	0.1895	0.6283
Leishmania major	histone deacetylase, putative	0.0231	0.1895	0.6283
Echinococcus multilocularis	lamin dm0	0.0027	0.0053	0.0154
Echinococcus granulosus	histone deacetylase 7	0.0208	0.1687	0.4905
Echinococcus multilocularis	musashi	0.0027	0.0053	0.0154
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0231	0.1895	1
Onchocerca volvulus		0.0403	0.344	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Loa Loa (eye worm)	zinc carboxypeptidase	0.0069	0.0434	0.1441
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0069	0.0434	0.2293
Loa Loa (eye worm)	zinc carboxypeptidase	0.0069	0.0434	0.1441
Schistosoma mansoni	peptidase	0.0069	0.0434	0.1263
Echinococcus granulosus	histone deacetylase 6	0.0208	0.1687	0.4905
Onchocerca volvulus		0.0069	0.0434	0.1126
Echinococcus multilocularis	histone deacetylase 6	0.0214	0.1741	0.5061
Schistosoma mansoni	lamin	0.0027	0.0053	0.0154
Plasmodium falciparum	histone deacetylase, putative	0.0208	0.1687	0.8905
Schistosoma mansoni	histone deacetylase 4 5	0.0208	0.1687	0.4905
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0379	0.1102
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Brugia malayi	Carboxypeptidase A2 precursor	0.0069	0.0434	0.1441
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1895	0.6283
Echinococcus granulosus	lamin	0.0027	0.0053	0.0154
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0379	0.1257
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0231	0.0767
Onchocerca volvulus	Huntingtin homolog	0.0122	0.0909	0.2527
Schistosoma mansoni	hypothetical protein	0.0047	0.0231	0.0672
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0053	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0053	0.0176
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0379	0.1102
Onchocerca volvulus	Carboxypeptidase D homolog	0.0069	0.0434	0.1126
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0069	0.0434	0.1126
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0069	0.0434	0.2293
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0231	0.1895	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0909	0.3014
Schistosoma mansoni	hypothetical protein	0.0069	0.0434	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Loa Loa (eye worm)	histone deacetylase 3	0.0231	0.1895	0.6283
Trypanosoma brucei	histone deacetylase 4	0.0208	0.1687	0.5595
Plasmodium vivax	histone deacetylase 1, putative	0.0231	0.1895	1
Loa Loa (eye worm)	hypothetical protein	0.0356	0.3015	1
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0068	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Echinococcus multilocularis	snurportin 1	0.0303	0.2545	0.7397
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0069	0.0434	0.1263
Onchocerca volvulus		0.0163	0.128	0.3623
Entamoeba histolytica	histone deacetylase, putative	0.0231	0.1895	1
Onchocerca volvulus		0.0403	0.344	1
Plasmodium falciparum	histone deacetylase 1	0.0231	0.1895	1
Plasmodium vivax	histone deacetylase, putative	0.0208	0.1687	0.8905
Echinococcus granulosus	histone deacetylase 8	0.0099	0.0707	0.2055
Brugia malayi	TAR-binding protein	0.0063	0.0379	0.1257
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1449	0.4806
Schistosoma mansoni	histone deacetylase	0.0231	0.1895	0.5508
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0069	0.0434	0.1263
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0069	0.0434	0.1263
Echinococcus multilocularis	histone deacetylase	0.0208	0.1687	0.4905
Leishmania major	histone deacetylase, putative	0.0231	0.1895	0.6283
Trichomonas vaginalis	histone deacetylase, putative	0.0231	0.1895	1
Brugia malayi	Histone deacetylase 1	0.0231	0.1895	0.6283
Brugia malayi	hypothetical protein	0.0163	0.128	0.4246
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0403	0.344	1
Schistosoma mansoni	histone deacetylase 4 5	0.0208	0.1687	0.4905
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0068	0.0357
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.0403	0.344	1
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0069	0.0434	0.2293
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0403	0.344	1
Onchocerca volvulus		0.0403	0.344	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0434	0.1441
Schistosoma mansoni	peptidase	0.0069	0.0434	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0068	0.0224
Onchocerca volvulus		0.0403	0.344	1
Plasmodium vivax	histone deacetylase, putative	0.0099	0.0707	0.3731
Trypanosoma brucei	Carboxypeptidase-like protein	0.0069	0.0434	0.1441
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0069	0.0434	0.1441
Brugia malayi	Zinc carboxypeptidase family protein	0.0069	0.0434	0.1441
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0053	0.0176
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0303	0.2545	0.8438

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 255 nM	Inhibition of [35S]-GTP-gammaS, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adenosine A3 receptor	ChEMBL.	10636237
IC50 (functional)	= 255 nM	Inhibition of [35S]-GTP-gammaS, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adenosine A3 receptor	ChEMBL.	10636237
Ki (binding)	= 1.3 uM	In vitro binding affinity against human Adenosine A3 receptor	ChEMBL.	10636237
Ki (binding)	= 1.3 uM	In vitro binding affinity against human Adenosine A3 receptor	ChEMBL.	10636237

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.

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External resources for this compound

ChEMBL: CHEMBL114643
PubChem: 2848828

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 189053