TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 490.511 | Formula: C25H26N6O5
H donors: 5 H acceptors: 7 LogP: 1.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1OC([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2Nc1ccc(cc1)CC(=O)Nc1cccc(c1)C
InChi: 1S/C25H26N6O5/c1-14-3-2-4-17(9-14)29-19(33)10-15-5-7-16(8-6-15)30-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,29,33)(H,26,27,30)/t18-,21-,22-,25?/m1/s1
InChiKey: LGOMUVCCAYMSQF-PMJLDSSESA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
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	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0096	0.0113
Brugia malayi	Carboxylesterase family protein	0.2086	0.8455	1
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0096	0.0096
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.011	0.0285	0.0337
Echinococcus multilocularis	muscleblind protein	0.0159	0.0485	0.0485
Echinococcus multilocularis	para nitrobenzyl esterase	0.0352	0.1287	0.1287
Echinococcus granulosus	acetylcholinesterase	0.2086	0.8455	1
Echinococcus multilocularis	lamin dm0	0.011	0.0285	0.0285
Trichomonas vaginalis	spcc417.12 protein, putative	0.0352	0.1287	1
Echinococcus granulosus	lamin dm0	0.011	0.0285	0.0337
Brugia malayi	cytoplasmic intermediate filament protein	0.0059	0.0073	0.0087
Echinococcus multilocularis	isocitrate dehydrogenase	0.0065	0.0097	0.0097
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0096	0.0113
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.0763	0.5915
Schistosoma mansoni	survival motor neuron protein	0.0101	0.0246	0.0292
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0352	0.1287	1
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0096	0.0096
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0097	0.2795
Loa Loa (eye worm)	carboxylesterase	0.0352	0.1287	0.1522
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0122	0.0335	0.2577
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0042	0.0004	0.5
Schistosoma mansoni	hypothetical protein	0.0101	0.0246	0.0292
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0065	0.0097	0.2795
Schistosoma mansoni	hypothetical protein	0.0064	0.0096	0.0113
Schistosoma mansoni	hypothetical protein	0.0879	0.3465	0.4099
Brugia malayi	Isocitrate dehydrogenase	0.0065	0.0097	0.0114
Brugia malayi	hypothetical protein	0.0256	0.0889	0.1052
Onchocerca volvulus		0.0352	0.1287	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0042	0.0004	0.0005
Schistosoma mansoni	lamin	0.011	0.0285	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0256	0.0889	0.1052
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0204	0.0671	0.0794
Brugia malayi	Intermediate filament tail domain containing protein	0.011	0.0285	0.0337
Brugia malayi	intermediate filament protein	0.011	0.0285	0.0337
Brugia malayi	Carboxylesterase family protein	0.0352	0.1287	0.1522
Echinococcus granulosus	thioredoxin glutathione reductase	0.0122	0.0335	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0065	0.0097	0.2795
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0046	0.0018	0.0022
Trypanosoma cruzi	PAB1-binding protein , putative	0.0102	0.0251	0.7465
Schistosoma mansoni	BC026374 protein (S09 family)	0.0352	0.1287	0.1522
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2086	0.8455	1
Echinococcus multilocularis	neuropeptide s receptor	0.1908	0.7719	0.7719
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1056	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0041	0.0048
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.0064	0.0096	0.0113
Brugia malayi	hypothetical protein	0.0352	0.1287	0.1522
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0041	0.0048
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1287	0.1522
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0065	0.0097	0.072
Echinococcus granulosus	acetylcholinesterase	0.2086	0.8455	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0285	0.0337
Schistosoma mansoni	memapsin-2 (A01 family)	0.0418	0.1559	0.1844
Echinococcus granulosus	survival motor neuron protein 1	0.0495	0.1875	0.2218
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0042	0.0004	0.0004
Plasmodium falciparum	glutathione reductase	0.0122	0.0335	1
Schistosoma mansoni	hypothetical protein	0.0139	0.0405	0.0479
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0352	0.1287	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.2086	0.8455	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0485	0.0574
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0096	0.0113
Brugia malayi	MH2 domain containing protein	0.0606	0.2336	0.2763
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0101	0.0246	0.0292
Echinococcus multilocularis	geminin	0.0879	0.3465	0.3465
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0212	0.025
Plasmodium falciparum	thioredoxin reductase	0.0122	0.0335	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0096	0.0096
Leishmania major	trypanothione reductase	0.0122	0.0335	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0065	0.0097	0.0114
Plasmodium vivax	glutathione reductase, putative	0.0122	0.0335	1
Onchocerca volvulus		0.011	0.0285	0.0368
Brugia malayi	Carboxylesterase family protein	0.2086	0.8455	1
Schistosoma mansoni	hypothetical protein	0.0064	0.0096	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0251	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0212	0.025
Mycobacterium ulcerans	carboxylesterase, LipT	0.0352	0.1287	1
Echinococcus multilocularis	acetylcholinesterase	0.2086	0.8455	0.8455
Echinococcus granulosus	lamin	0.011	0.0285	0.0337
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0042	0.0004	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0122	0.0335	0.0396
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.0485	0.0485
Echinococcus granulosus	BC026374 protein S09 family	0.0352	0.1287	0.1522
Echinococcus granulosus	carboxylesterase 5A	0.2086	0.8455	1
Echinococcus granulosus	neuropeptide receptor A26	0.1908	0.7719	0.913
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0042	0.0004	0.0005
Leishmania major	hypothetical protein, conserved	0.0102	0.0251	0.7465
Brugia malayi	Muscleblind-like protein	0.0159	0.0485	0.0574
Brugia malayi	Carboxylesterase family protein	0.0352	0.1287	0.1522
Toxoplasma gondii	isocitrate dehydrogenase	0.0065	0.0097	0.2795
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0042	0.0004	0.0005
Plasmodium falciparum	ataxin-2 like protein, putative	0.0102	0.0251	0.7465
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0212	0.025
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Loa Loa (eye worm)	intermediate filament protein	0.011	0.0285	0.0337
Schistosoma mansoni	hypothetical protein	0.0879	0.3465	0.4099
Brugia malayi	hypothetical protein	0.0102	0.0251	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Echinococcus granulosus	muscleblind protein	0.0159	0.0485	0.0574
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1287	0.1522
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0276	0.0327
Onchocerca volvulus		0.0352	0.1287	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0097	0.0097
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0204	0.0671	0.0794
Echinococcus multilocularis	survival motor neuron protein 1	0.0495	0.1875	0.1875
Trypanosoma cruzi	PAB1-binding protein , putative	0.0102	0.0251	0.7465
Brugia malayi	glutathione reductase	0.0122	0.0335	0.0396
Brugia malayi	latrophilin 2 splice variant baaae	0.0139	0.0405	0.0479
Loa Loa (eye worm)	MH2 domain-containing protein	0.0606	0.2336	0.2763
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0053	0.0049	0.0058
Trypanosoma cruzi	trypanothione reductase, putative	0.0122	0.0335	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0352	0.1287	0.1287
Trypanosoma brucei	trypanothione reductase	0.0122	0.0335	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0096	0.0113
Brugia malayi	Carboxylesterase family protein	0.0352	0.1287	0.1522
Brugia malayi	hypothetical protein	0.0066	0.0102	0.012
Loa Loa (eye worm)	carboxylesterase	0.0352	0.1287	0.1522
Schistosoma mansoni	intermediate filament proteins	0.011	0.0285	0.0337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0212	0.025
Treponema pallidum	NADH oxidase	0.0042	0.0004	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.1908	0.7719	0.7719
Toxoplasma gondii	isocitrate dehydrogenase	0.0065	0.0097	0.2795
Loa Loa (eye worm)	hypothetical protein	0.0256	0.0889	0.1052
Onchocerca volvulus	Huntingtin homolog	0.0256	0.0889	0.6178
Echinococcus multilocularis	carboxylesterase 5A	0.2086	0.8455	0.8455
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0065	0.0097	0.2795
Schistosoma mansoni	hypothetical protein	0.0046	0.0018	0.0022
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0065	0.0097	0.0097
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0059	0.0073	0.0087
Loa Loa (eye worm)	hypothetical protein	0.2086	0.8455	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0046	0.0018	0.0018
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0053	0.0049	0.0049
Onchocerca volvulus		0.0297	0.1056	0.7782
Echinococcus granulosus	neuroligin	0.0352	0.1287	0.1522
Toxoplasma gondii	LsmAD domain-containing protein	0.0102	0.0251	0.7465
Loa Loa (eye worm)	transcription factor SMAD2	0.0606	0.2336	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Schistosoma mansoni	hypothetical protein	0.0064	0.0096	0.0113
Onchocerca volvulus	Huntingtin homolog	0.0256	0.0889	0.6178
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0042	0.0004	0.5
Loa Loa (eye worm)	carboxylesterase	0.2086	0.8455	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0097	0.2795
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1287	0.1522
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0065	0.0097	0.0114
Plasmodium falciparum	ataxin-2 like protein, putative	0.0102	0.0251	0.7465
Plasmodium vivax	thioredoxin reductase, putative	0.0122	0.0335	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0352	0.1287	0.1287
Onchocerca volvulus		0.0352	0.1287	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0097	0.0097
Schistosoma mansoni	gliotactin	0.0352	0.1287	0.1522
Schistosoma mansoni	acetylcholinesterase	0.0352	0.1287	0.1522
Brugia malayi	Carboxylesterase family protein	0.0352	0.1287	0.1522
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0065	0.0097	0.2795
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0042	0.0004	0.5
Toxoplasma gondii	thioredoxin reductase	0.0122	0.0335	1
Echinococcus granulosus	geminin	0.0879	0.3465	0.4099
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0204	0.0671	0.0794
Echinococcus multilocularis	neuroligin	0.0352	0.1287	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0096	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0671	0.0794
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0212	0.025
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0096	0.0113
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0042	0.0004	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0212	0.025
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0097	0.2795
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0352	0.1287	0.1522
Echinococcus granulosus	neuropeptide s receptor	0.1908	0.7719	0.913
Schistosoma mansoni	lamin	0.011	0.0285	0.0337
Brugia malayi	hypothetical protein	0.0495	0.1875	0.2218
Brugia malayi	hypothetical protein	0.0297	0.1056	0.1249
Echinococcus granulosus	GPCR family 2	0.0064	0.0096	0.0113
Echinococcus granulosus	intermediate filament protein	0.011	0.0285	0.0337
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1287	0.1522
Echinococcus multilocularis	acetylcholinesterase	0.2086	0.8455	0.8455
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0405	0.0479
Plasmodium vivax	ataxin-2 like protein, putative	0.0102	0.0251	0.7465
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0352	0.1287	1
Onchocerca volvulus		0.0352	0.1287	1
Loa Loa (eye worm)	hypothetical protein	0.0495	0.1875	0.2218
Brugia malayi	Thioredoxin reductase	0.0122	0.0335	0.0396
Onchocerca volvulus		0.0352	0.1287	1
Loa Loa (eye worm)	hypothetical protein	0.2086	0.8455	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0485	0.0574
Brugia malayi	isocitrate dehydrogenase	0.0065	0.0097	0.0114
Echinococcus granulosus	para nitrobenzyl esterase	0.0352	0.1287	0.1522
Echinococcus multilocularis	lamin	0.011	0.0285	0.0285
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0122	0.0335	0.0335
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0212	0.025
Echinococcus multilocularis	musashi	0.011	0.0285	0.0285
Trypanosoma brucei	PAB1-binding protein , putative	0.0102	0.0251	0.7465
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0352	0.1287	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0065	0.0097	0.0114
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0352	0.1287	0.1522
Onchocerca volvulus		0.011	0.0285	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0049	0.0058
Loa Loa (eye worm)	glutathione reductase	0.0122	0.0335	0.0396

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2 nM	Inhibition of binding of 1 nM N6-[3H]-cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.	ChEMBL.	2993623

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: CHEMBL606513

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1103371