TDR Targets

Basic information

Technical information

TDR Targets ID: 934198
Name: (2S,3S,4R,5R)-5-[6-amino-2-(3-hydroxybut-1-yn yl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2 -carboxamide
MW: 376.367 | Formula: C16H20N6O5
H donors: 5 H acceptors: 7 LogP: -1.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC(O)C)nc2N
InChi: 1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21)/t7?,10-,11+,12-,16+/m0/s1
InChiKey: GPCASTDOVZHXHU-RWDFEQEWSA-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-[6-amino-2-(3-hydroxybut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
(2S,3S,4R,5R)-5-[6-amino-2-(3-hydroxybut-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
(2S,3S,4R,5R)-5-[6-amino-2-(3-hydroxybut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2 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
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0233	0.4014	0.4014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Loa Loa (eye worm)	cathepsin B	0.0196	0.3093	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Echinococcus granulosus	cathepsin l1	0.0342	0.6751	0.6751
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Onchocerca volvulus	Cathepsin F homolog	0.0342	0.6751	1
Plasmodium vivax	unspecified product	0.0182	0.2737	0.4054
Plasmodium vivax	vivapain-3	0.0182	0.2737	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0471	1	1
Leishmania major	cathepsin L-like protease	0.0342	0.6751	0.6088
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0342	0.6751	0.6751
Plasmodium vivax	unspecified product	0.0109	0.09	0.1333
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.2737	0.2737
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.2737	0.4054
Echinococcus granulosus	cathepsin b	0.0471	1	1
Echinococcus multilocularis	cathepsin L	0.0182	0.2737	0.2737
Leishmania major	cathepsin L-like protease	0.0342	0.6751	0.6088
Leishmania major	cathepsin L-like protease	0.0435	0.9102	1
Giardia lamblia	Cathepsin B precursor	0.0196	0.3093	1
Plasmodium vivax	vivapain-2	0.0342	0.6751	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0342	0.6751	0.6751
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Echinococcus multilocularis	cathepsin b	0.0471	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0109	0.09	0.09
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.9102	0.9102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Brugia malayi	cathepsin L-like precursor	0.0233	0.4014	0.4014
Entamoeba histolytica	cysteine protease, putative	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0196	0.3093	0.4581
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0182	0.2737	0.2737
Echinococcus multilocularis	cathepsin L cysteine protease	0.0342	0.6751	0.6751
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.2737	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0342	0.6751	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Onchocerca volvulus		0.0342	0.6751	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0233	0.4014	0.4014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Brugia malayi	Cathepsin L-like precursor	0.0109	0.09	0.09
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0342	0.6751	0.6751
Trypanosoma cruzi	cysteine proteinase, putative	0.0182	0.2737	0.2737
Echinococcus granulosus	cathepsin L	0.0182	0.2737	0.2737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0233	0.4014	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trypanosoma cruzi	cysteine protease, putative	0.0182	0.2737	0.2737
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Plasmodium vivax	vivapain-2	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0233	0.4014	0.5946
Schistosoma mansoni	cathepsin s	0.0109	0.09	0.09
Onchocerca volvulus		0.0233	0.4014	0.5946
Brugia malayi	Papain family cysteine protease containing protein	0.0182	0.2737	0.2737
Entamoeba histolytica	cysteine proteinase, putative	0.0233	0.4014	0.5946
Giardia lamblia	Cathepsin B precursor	0.0196	0.3093	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0109	0.09	0.09
Trypanosoma cruzi	cysteine peptidase, putative	0.0342	0.6751	0.6751
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Onchocerca volvulus	Cathepsin L homolog	0.0342	0.6751	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0233	0.4014	0.4014
Loa Loa (eye worm)	hypothetical protein	0.0233	0.4014	0.4014
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.2737	0.2737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0233	0.4014	0.4014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Echinococcus multilocularis	cysteine protease	0.0342	0.6751	0.6751
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0196	0.3093	0.3093
Onchocerca volvulus	Cathepsin L homolog	0.0342	0.6751	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0342	0.6751	0.6751
Echinococcus granulosus	cathepsin b	0.0471	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0182	0.2737	0.2737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Echinococcus granulosus	cathepsin l1	0.0233	0.4014	0.4014
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.2737	0.4054
Onchocerca volvulus		0.0342	0.6751	1
Leishmania major	cysteine peptidase A (CPA)	0.0342	0.6751	0.6088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Entamoeba histolytica	cysteine proteinase 2	0.0182	0.2737	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0342	0.6751	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0109	0.09	0.09
Loa Loa (eye worm)	hypothetical protein	0.0109	0.09	0.09
Brugia malayi	Papain family cysteine protease containing protein	0.0342	0.6751	0.6751
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Brugia malayi	Cathepsin L-like precursor	0.0233	0.4014	0.4014
Toxoplasma gondii	cathepsin B	0.0196	0.3093	0.4581
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Echinococcus multilocularis	cathepsin b	0.0471	1	1
Loa Loa (eye worm)	cysteine protease	0.0342	0.6751	0.6751
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0471	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Toxoplasma gondii	cathepsin CPL	0.0342	0.6751	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.09	0.09
Echinococcus granulosus	cysteine protease	0.0182	0.2737	0.2737
Loa Loa (eye worm)	hypothetical protein	0.0233	0.4014	0.4014
Loa Loa (eye worm)	ctsf protein	0.0342	0.6751	0.6751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Leishmania major	cathepsin L-like protease	0.0342	0.6751	0.6088
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0182	0.2737	0.4054
Loa Loa (eye worm)	fibroinase	0.0342	0.6751	0.6751
Loa Loa (eye worm)	hypothetical protein	0.0109	0.09	0.09
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.2737	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0109	0.09	0.09
Trypanosoma cruzi	cysteine peptidase, putative	0.0182	0.2737	0.2737
Leishmania major	cathepsin L-like protease	0.0435	0.9102	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0167	0.2351	0.2351
Trypanosoma cruzi	cruzipain precursor, putative	0.0435	0.9102	0.9102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Leishmania major	cathepsin L-like protease	0.0342	0.6751	0.6088
Leishmania major	cathepsin L-like protease	0.0435	0.9102	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0196	0.3093	0.0559
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0196	0.3093	0.3093
Loa Loa (eye worm)	hypothetical protein	0.0342	0.6751	0.6751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Onchocerca volvulus		0.0342	0.6751	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0342	0.6751	0.6751
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0326	0.6365	0.6365
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0342	0.6751	0.6751
Entamoeba histolytica	cysteine proteinase, putative	0.0342	0.6751	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0109	0.09	0.09
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0342	0.6751	0.6751
Onchocerca volvulus		0.0342	0.6751	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.2737	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.9102	0.9102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.9102	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.2737	0.4054
Onchocerca volvulus		0.0342	0.6751	1
Leishmania major	cathepsin L-like protease	0.0342	0.6751	0.6088
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0342	0.6751	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Loa Loa (eye worm)	hypothetical protein	0.0471	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0342	0.6751	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0342	0.6751	0.6751
Brugia malayi	Papain family cysteine protease containing protein	0.0182	0.2737	0.2737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.2737	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0182	0.2737	0.2737
Onchocerca volvulus		0.0342	0.6751	1
Plasmodium vivax	vivapain-1	0.0182	0.2737	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.2737	0.2737
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0342	0.6751	0.6751
Entamoeba histolytica	cysteine proteinase 1, putative	0.0182	0.2737	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0342	0.6751	0.6751
Onchocerca volvulus		0.0342	0.6751	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.9102	0.9102
Giardia lamblia	Cathepsin B precursor	0.0196	0.3093	1
Echinococcus multilocularis	cysteine protease	0.0342	0.6751	0.6751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0342	0.6751	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0342	0.6751	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 657 nM	Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria	ChEMBL.	8201607
EC50 (functional)	= 828 nM	Negative chronotropic activity via A2 Adenosine receptor was tested monitoring vasodilation in rat aorta	ChEMBL.	8201607
Ki (binding)	= 7.6 nM	Affinity for the adenosine A2 receptor was evaluated in a competition assay in rat striatum using [3H]-CGS- 21680 as radioligand	ChEMBL.	8201607
Ki (binding)	= 11.1 nM	Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand	ChEMBL.	8201607
Ratio (functional)	= 4.7	Inhibition compared to inhibition by NECA (IC50 ratio) of rabbit platelet aggregation induced by ADP	ChEMBL.	8201607

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: CHEMBL2113410

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 934198