TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.421 | Formula: C18H24N6O4
H donors: 4 H acceptors: 6 LogP: 0.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC#Cc1nc(N)c2c(n1)n(cn2)C1O[C@@H]([C@H]([C@H]1O)O)CNC(=O)C
InChi: 1S/C18H24N6O4/c1-3-4-5-6-7-12-22-16(19)13-17(23-12)24(9-21-13)18-15(27)14(26)11(28-18)8-20-10(2)25/h9,11,14-15,18,26-27H,3-5,8H2,1-2H3,(H,20,25)(H2,19,22,23)/t11-,14-,15-,18?/m1/s1
InChiKey: SUWNGWJYONLIJJ-HETNKJQDSA-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
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
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
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 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.2268	0.2268
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4221	0.4221
Echinococcus multilocularis	fmrfamide receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	G protein-coupled receptor F59B2.13	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	cytochrome P450	0.0015	0.0592	0.0592
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0035	0.4233	0.4233
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0035	0.4233	0.4233
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0035	0.4233	0.4233
Schistosoma mansoni	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0035	0.4233	0.4233
Brugia malayi	RNA recognition motif domain containing protein	0.0067	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptide Y receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	Cytochrome P450 family protein	0.0024	0.2268	0.2268
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0067	1	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0035	0.4233	0.4233
Brugia malayi	Dopamine receptor protein 2	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Schistosoma mansoni	neuropeptide receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Echinococcus granulosus	orexin receptor type 2	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0015	0.0592	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.2268	1
Echinococcus granulosus	neuropeptide receptor	0.0035	0.4233	0.4233
Brugia malayi	Melatonin receptor type 1A	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptides capa receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	TYRA-2 protein	0.0035	0.4233	0.4233
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.5856	0.5856
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0035	0.4233	0.4233
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0035	0.4233	0.4233
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.2268	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0035	0.4233	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Leishmania major	cytochrome p450-like protein	0.0024	0.2268	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0015	0.0592	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0035	0.4233	0.4233
Loa Loa (eye worm)	TAR-binding protein	0.0067	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	AKH receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0015	0.0592	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	sulfakinin receptor protein	0.0035	0.4233	0.4233
Schistosoma mansoni	hypothetical protein	0.0015	0.0592	0.0592
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	cytochrome P450 family protein	0.0056	0.7891	0.7891
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0035	0.4233	0.4233
Loa Loa (eye worm)	CYP4Cod1	0.0024	0.2268	0.2268
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptide FF receptor 2	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptides capa receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0035	0.4233	0.4233
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	neuropeptide receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide receptor A26	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	putative neuropeptide receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	growth hormone secretagogue receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Trypanosoma brucei	cytochrome P450, putative	0.0024	0.2268	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0024	0.2268	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.004	0.5185	0.5185
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0035	0.4233	0.4233
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0592	0.0592
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide s receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	allatostatin A receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0015	0.0592	0.5
Schistosoma mansoni	amine GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0067	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0015	0.0592	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptide Y receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	cytochrome P450	0.0015	0.0592	0.0592
Echinococcus granulosus	neuropeptide receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0015	0.0592	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0035	0.4233	0.4233
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	biogenic amine 5HT receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	neuropeptide F-like receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	neuropeptide F-like receptor	0.0035	0.4233	0.4233
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.4705	0.5
Mycobacterium leprae	putative cytochrome p450	0.0015	0.0592	0.5
Onchocerca volvulus		0.0035	0.4233	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0015	0.0592	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptide receptor A26	0.0035	0.4233	0.4233
Brugia malayi	putative neuropeptide receptor NPR1	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0015	0.0592	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	amine GPCR	0.0035	0.4233	0.4233
Brugia malayi	G-protein coupled receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0015	0.0592	0.5
Onchocerca volvulus		0.0035	0.4233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0015	0.0592	0.5
Schistosoma mansoni	adenoreceptor	0.0035	0.4233	0.4233
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0015	0.0592	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine receptor	0.0035	0.4233	0.4233
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.004	0.5185	0.5185
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	Serotonin receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0015	0.0592	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	g protein coupled receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0015	0.0592	0.5
Echinococcus granulosus	sex peptide receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0015	0.0592	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0015	0.0592	0.5
Schistosoma mansoni	histamine h1 receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0015	0.0592	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0035	0.4233	0.4233
Echinococcus granulosus	g protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	g protein coupled receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Brugia malayi	Cytochrome P450 family protein	0.0056	0.7891	0.7891
Echinococcus granulosus	G protein coupled receptor 139	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	amine GPCR	0.0035	0.4233	0.4233
Echinococcus granulosus	biogenic amine 5HT receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	neuropeptide F receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	neuropeptide f receptor 76f	0.0035	0.4233	0.4233
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0035	0.4233	0.4233
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide Y receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Loa Loa (eye worm)	neuropeptide F receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	Serotonin receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Echinococcus granulosus	serotonin receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	G-protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.004	0.5185	0.5185
Echinococcus multilocularis	neuropeptide receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	G protein coupled receptor 139	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Brugia malayi	RE15519p	0.0035	0.4233	0.4233
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0015	0.0592	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	g protein coupled receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	neuropeptide F receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0035	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0067	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0035	0.4233	0.4233
Schistosoma mansoni	opsin-like receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0035	0.4233	0.4233
Brugia malayi	G protein-coupled receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	neuropeptide Y receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	neuropeptide s receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	myosin xvIII	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	tar DNA binding protein	0.0067	1	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0015	0.0592	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0035	0.4233	0.4233
Mycobacterium leprae	Conserved hypothetical protein	0.0015	0.0592	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	amine GPCR	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0015	0.0592	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	hypothetical protein	0.0035	0.4233	0.4233
Schistosoma mansoni	amine GPCR	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus multilocularis	serotonin receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	G-protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	fmrfamide receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	tm gpcr rhodopsin	0.0035	0.4233	0.4233
Echinococcus multilocularis	orexin receptor type 2	0.0035	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0067	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.5856	0.5856
Schistosoma mansoni	opsin-like receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus granulosus	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0015	0.0592	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Brugia malayi	TAR-binding protein	0.0067	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.0035	0.4233	0.4233
Brugia malayi	G-protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine receptor	0.0035	0.4233	0.4233
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.4705	0.5
Schistosoma mansoni	neuropeptide receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	tar DNA binding protein	0.0067	1	1
Echinococcus multilocularis	sex peptide receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus multilocularis	serotonin receptor	0.0035	0.4233	0.4233
Brugia malayi	Dopamine receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0035	0.4233	0.4233
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Brugia malayi	neuropeptide F receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0035	0.4233	0.4233
Brugia malayi	Dopamine receptor protein 1	0.0035	0.4233	0.4233
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0035	0.4233	0.4233
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0035	0.4233	0.4233
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	1	1
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	allatostatin A receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0035	0.4233	0.4233
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0035	0.4233	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.004	0.5185	0.5185
Loa Loa (eye worm)	melatonin receptor type 1A	0.0035	0.4233	0.4233
Brugia malayi	GnHR receptor homolog	0.0035	0.4233	0.4233
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0035	0.4233	0.4233
Brugia malayi	larval opioid receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	tm gpcr rhodopsin	0.0035	0.4233	0.4233
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0015	0.0592	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0067	1	1
Echinococcus granulosus	fmrfamide receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.2268	0.2268
Echinococcus multilocularis	g protein coupled receptor	0.0035	0.4233	0.4233
Echinococcus granulosus	cytochrome P450 2K1	0.0015	0.0592	0.0592
Echinococcus granulosus	rhodopsin orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus granulosus	somatostatin receptor	0.0035	0.4233	0.4233
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	neuropeptide receptor	0.0035	0.4233	0.4233
Echinococcus multilocularis	dro:myosuppressin receptor	0.0035	0.4233	0.4233
Brugia malayi	cytochrome P450	0.0015	0.0592	0.0592
Echinococcus granulosus	tm gpcr rhodopsin	0.0035	0.4233	0.4233
Brugia malayi	ORL1-like opioid receptor	0.0035	0.4233	0.4233
Brugia malayi	Cytochrome P450 family protein	0.0024	0.2268	0.2268
Echinococcus multilocularis	neuropeptides capa receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis	somatostatin receptor	0.0035	0.4233	0.4233
Brugia malayi	follicle stimulating hormone receptor	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Brugia malayi	hypothetical protein	0.0035	0.4233	0.4233
Loa Loa (eye worm)	RNA binding protein	0.0067	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0035	0.4233	0.4233
Schistosoma mansoni	opsin-like receptor	0.0035	0.4233	0.4233
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4233	0.4233
Echinococcus multilocularis		0.0015	0.0592	0.0592
Echinococcus granulosus	7tm_1 domain containing protein	0.0035	0.4233	0.4233
Onchocerca volvulus		0.0035	0.4233	0.5
Echinococcus granulosus	g protein coupled receptor	0.0035	0.4233	0.4233

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	> 181 nM	Binding affinity against adenosine A2 receptor from rat striatum using [3H]-NECA as radioligand.	ChEMBL.	1495019
Ki (binding)	> 472 nM	Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]-cyclohexyladenosine as radioligand.	ChEMBL.	1495019

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: CHEMBL609762

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1105814