Detailed information for compound 416007
Basic information
Technical information
- TDR Targets ID: 416007
- Name: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-(met hoxyamino)-2-[2-(4-pentylphenyl)ethynyl]purin -9-yl]oxolane-2-carboxamide
- MW: 508.569 | Formula: C26H32N6O5
-
H donors: 4
H acceptors: 6
LogP: 3.65
Rotable bonds: 10
Rule of 5 violations (Lipinski): 2 - SMILES: CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC
- InChi: 1S/C26H32N6O5/c1-4-6-7-8-16-9-11-17(12-10-16)13-14-18-29-23(31-36-3)19-24(30-18)32(15-28-19)26-21(34)20(33)22(37-26)25(35)27-5-2/h9-12,15,20-22,26,33-34H,4-8H2,1-3H3,(H,27,35)(H,29,30,31)/t20-,21+,22-,26+/m0/s1
- InChiKey: QNYOBYKULUANIU-IMIIHFCZSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-(methoxyamino)-2-[2-(4-pentylphenyl)ethynyl]purin-9-yl]tetrahydrofuran-2-carboxamide
- (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-(methoxyamino)-2-[2-(4-pentylphenyl)ethynyl]-9-purinyl]-2-tetrahydrofurancarboxamide
- (2S,3S,4R,5R)-5-[2-[2-(4-amylphenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | adenosine A3 receptor | Starlite/ChEMBL | References |
| Homo sapiens | 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 |
|---|---|---|---|---|---|
| Brugia malayi | hypothetical protein | adenosine A1 receptor | 326 aa | 305 aa | 21.0 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Bromodomain containing protein | 0.0034 | 0.0049 | 0.0049 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Brugia malayi | G-protein coupled receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0042 | 0.0134 | 0.0134 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0042 | 0.0134 | 0.0085 |
| Echinococcus multilocularis | serotonin receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0973 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Brugia malayi | Dopamine receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0198 | 0.1791 | 0.175 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0041 | 0.0125 | 0.0077 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0041 | 0.0125 | 0.0077 |
| Brugia malayi | neuropeptide F receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0034 | 0.0049 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Mycobacterium ulcerans | secreted antigen 85-C FbpC | 0.0831 | 0.8498 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0056 | 0.0286 | 0.0286 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0973 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0973 | 1 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0973 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 0 | 0.5 |
| Echinococcus granulosus | g protein coupled receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0059 | 0.0308 | 0.0308 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.0112 | 0.0872 | 0.0827 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.014 | 0.1169 | 0.1169 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.0049 | 0.0049 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0177 | 0.1563 | 0.1563 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0056 | 0.0286 | 0.0238 | |
| Brugia malayi | Serotonin receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0198 | 0.1791 | 0.175 |
| Mycobacterium leprae | SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) | 0.0831 | 0.8498 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0973 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0042 | 0.0134 | 0.0085 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0277 | 0.2623 | 0.2586 |
| Brugia malayi | GnHR receptor homolog | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0973 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | somatostatin receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0973 | 1 | 1 |
| Brugia malayi | AKH receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0973 | 1 | 1 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Schistosoma mansoni | neuropeptide receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0973 | 1 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Brugia malayi | G-protein coupled receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Schistosoma mansoni | survival motor neuron protein | 0.0056 | 0.0286 | 0.0238 |
| Schistosoma mansoni | neuropeptide receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | geminin | 0.0198 | 0.1791 | 0.175 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0034 | 0.0049 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0973 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Giardia lamblia | PHD finger protein 15 | 0.0034 | 0.0049 | 0.5 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0973 | 1 | 1 |
| Brugia malayi | larval opioid receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.007 | 0.0434 | 0.0434 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0134 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | S formylglutathione hydrolase | 0.0035 | 0.0061 | 0.0012 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0134 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Echinococcus multilocularis | g protein coupled receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0177 | 0.1563 | 0.1563 |
| Schistosoma mansoni | hypothetical protein | 0.0042 | 0.0134 | 0.0085 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0041 | 0.0125 | 0.0125 |
| Schistosoma mansoni | amine GPCR | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Echinococcus multilocularis | somatostatin receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Brugia malayi | Dopamine receptor protein 1 | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | lysine specific demethylase 5A | 0.0041 | 0.0125 | 0.0077 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Brugia malayi | PHD-finger family protein | 0.0034 | 0.0049 | 0.0049 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0277 | 0.2623 | 0.2623 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | lysine specific demethylase 5A | 0.0041 | 0.0125 | 0.0077 |
| Echinococcus granulosus | allatostatin A receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | geminin | 0.0198 | 0.1791 | 0.175 |
| Schistosoma mansoni | jumonji domain containing protein | 0.0089 | 0.0629 | 0.0583 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0042 | 0.0134 | 0.0085 |
| Schistosoma mansoni | myosin xvIII | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0973 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0034 | 0.0049 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0973 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | jumonji domain containing protein | 0.0047 | 0.0191 | 0.0142 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0973 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0973 | 1 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0973 | 1 | 1 |
| Brugia malayi | MH2 domain containing protein | 0.014 | 0.1169 | 0.1169 |
| Echinococcus multilocularis | atpase aaa+ type core atpase aaa type core | 0.0949 | 0.9754 | 0.9752 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.014 | 0.1169 | 0.1169 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0277 | 0.2623 | 0.2586 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | S formylglutathione hydrolase | 0.0035 | 0.0061 | 0.0012 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0134 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0973 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | PHD-finger family protein | 0.0034 | 0.0049 | 0.0049 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Brugia malayi | jmjC domain containing protein | 0.0112 | 0.0872 | 0.0872 |
| Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.0112 | 0.0872 | 0.0827 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Brugia malayi | Esterase D | 0.0035 | 0.0061 | 0.0061 |
| Loa Loa (eye worm) | hypothetical protein | 0.0277 | 0.2623 | 0.2623 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0056 | 0.0286 | 0.0238 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0134 | 1 |
| Brugia malayi | RE15519p | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Plasmodium falciparum | phd finger protein, putative | 0.0034 | 0.0049 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0177 | 0.1563 | 0.1521 | |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0973 | 1 | 1 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0808 | 0.8254 | 0.8245 |
| Schistosoma mansoni | opsin-like receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Onchocerca volvulus | 0.0973 | 1 | 1 | |
| Brugia malayi | follicle stimulating hormone receptor | 0.0973 | 1 | 1 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0973 | 1 | 1 |
| Brugia malayi | jmjC domain containing protein | 0.0041 | 0.0125 | 0.0125 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0973 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0973 | 1 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0973 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0973 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0973 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0973 | 1 | 1 |
| Loa Loa (eye worm) | esterase D | 0.0035 | 0.0061 | 0.0061 |
| Echinococcus multilocularis | jumonji domain containing protein | 0.0047 | 0.0191 | 0.0142 |
| Loa Loa (eye worm) | hypothetical protein | 0.0973 | 1 | 1 |
| Echinococcus granulosus | microtubule associated protein 2 | 0.0808 | 0.8254 | 0.8245 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0808 | 0.8254 | 0.8245 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0973 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0973 | 1 | 1 |
| Mycobacterium tuberculosis | Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) | 0.0831 | 0.8498 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0973 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 68 nM | Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ki (binding) | = 68 nM | Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ki (binding) | = 4090 nM | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ki (binding) | = 4090 nM | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ki (binding) | = 27100 nM | Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ki (binding) | = 27100 nM | Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells | ChEMBL. | 17309246 |
| Ratio Ki (binding) | = 60 | Selectivity for human adenosine A3 receptor over human adenosine A1 receptor | ChEMBL. | 17309246 |
| Ratio Ki (binding) | = 399 | Selectivity for human adenosine A3 receptor over human adenosine A2A receptor | ChEMBL. | 17309246 |
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.
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: CHEMBL374336
- PubChem: 16115907
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.