Detailed information for compound 209489

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.381 | Formula: C17H21N5O2
  • H donors: 3 H acceptors: 5 LogP: 1.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H](Cn1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C)O
  • InChi: 1S/C17H21N5O2/c1-12(7-13-5-3-2-4-6-13)21-16-15-17(19-10-18-16)22(11-20-15)8-14(24)9-23/h2-6,10-12,14,23-24H,7-9H2,1H3,(H,18,19,21)/t12-,14+/m1/s1
  • InChiKey: JXLMYGYJHCFSIH-OCCSQVGLSA-N  

Network

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni amine GPCR 0.0023 0.0308 0.0281
Brugia malayi Smad1 0.0016 0.0114 0.0073
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.6784 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0023 0.0308 0.0413
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0494 0.0479
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0434 0.481
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0114 0.0099
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2446 0.2435
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0434 0.0569
Trichomonas vaginalis set domain proteins, putative 0.0236 0.6894 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0434 0.481
Echinococcus multilocularis sex peptide receptor 0.0023 0.0308 0.0293
Brugia malayi Tachykinin-like peptides receptor 99D 0.0023 0.0308 0.0335
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0234 0.172
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0.0308 0.0293
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0413 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0023 0.0308 0.0413
Schistosoma mansoni biogenic amine receptor 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi ORL1-like opioid receptor 0.0023 0.0308 0.0335
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0527 0.7194
Schistosoma mansoni neuropeptide receptor 0.0023 0.0308 0.0281
Onchocerca volvulus 0.0027 0.0451 0.0217
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2446 0.3282
Loa Loa (eye worm) hypothetical protein 0.0027 0.0451 0.0605
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni opsin-like receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2446 0.2435
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0023 0.0308 0.0293
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0023 0.0308 0.0335
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0023 0.0308 0.0293
Mycobacterium ulcerans lipase LipD 0.0036 0.0732 0.9423
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.0308 0.0281
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0732 1
Echinococcus granulosus neuropeptide s receptor 0.0023 0.0308 0.0293
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0434 0.5916
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.006 0.0081
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0027 0.0435 0.0584
Loa Loa (eye worm) hypothetical protein 0.0014 0.0044 0.006
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi follicle stimulating hormone receptor 0.0023 0.0308 0.0335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2446 0.2435
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0451 0.0528
Echinococcus multilocularis lamin dm0 0.0027 0.0451 0.0436
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0434 0.0569
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.0308 0.0281
Onchocerca volvulus 0.0036 0.0732 0.0645
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Mycobacterium ulcerans beta-lactamase 0.0036 0.0732 0.9423
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0732 0.1012
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Echinococcus granulosus tachykinin peptides receptor 99D 0.0023 0.0308 0.0293
Schistosoma mansoni biogenic amine receptor 0.0023 0.0308 0.0281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2446 0.3189
Schistosoma mansoni lamin 0.0027 0.0451 0.0475
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1164 0.1493
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.0086
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Echinococcus multilocularis lamin 0.0027 0.0451 0.0436
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Onchocerca volvulus 0.0036 0.0732 0.0645
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0434 0.0569
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0335 0.0422
Schistosoma mansoni tar DNA-binding protein 0.0254 0.7454 1
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0256 0.2064
Loa Loa (eye worm) hypothetical protein 0.0034 0.0672 0.0902
Echinococcus multilocularis smad 0.0016 0.0114 0.0099
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni neuropeptide receptor 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus 7tm_1 domain containing protein 0.0023 0.0308 0.0293
Loa Loa (eye worm) melatonin receptor type 1A 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0413 0.5
Loa Loa (eye worm) RNA binding protein 0.0254 0.7454 1
Onchocerca volvulus 0.0036 0.0732 0.0645
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.0308 0.0293
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0732 0.0983
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0023 0.0308 0.0335
Schistosoma mansoni tar DNA-binding protein 0.0254 0.7454 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0023 0.0308 0.0335
Schistosoma mansoni amine GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0732 0.1012
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.0308 0.0413
Loa Loa (eye worm) TAR-binding protein 0.0254 0.7454 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2446 0.2435
Schistosoma mansoni smad1 5 8 and 0.0016 0.0114 0.0017
Echinococcus multilocularis serotonin receptor 0.0023 0.0308 0.0293
Onchocerca volvulus 0.0023 0.0335 0.0041
Schistosoma mansoni hypothetical protein 0.0169 0.4833 0.6436
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0.0308 0.0293
Schistosoma mansoni alpha-1 adrenergic receptor 0.0023 0.0308 0.0281
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0386 0.4065
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0113 0.1523
Echinococcus granulosus smad 0.0016 0.0114 0.0099
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.0308 0.0281
Mycobacterium tuberculosis Conserved protein 0.0036 0.0732 0.1012
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0451 0.0605
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0527 0.0579
Brugia malayi AKH receptor 0.0023 0.0308 0.0335
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0732 0.9423
Brugia malayi G protein-coupled receptor 0.0023 0.0308 0.0335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Echinococcus multilocularis neuropeptide FF receptor 2 0.0023 0.0308 0.0293
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0386 0.0498
Echinococcus granulosus neuropeptides capa receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) beta-lactamase 0.0036 0.0732 0.0983
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.0308 0.0413
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0023 0.0308 0.0413
Echinococcus multilocularis allatostatin A receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0101 0.0136
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0386 0.4065
Brugia malayi MH2 domain containing protein 0.0016 0.0114 0.0073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0527 0.0579
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Brugia malayi neuropeptide F receptor 0.0023 0.0308 0.0335
Schistosoma mansoni hypothetical protein 0.0034 0.0672 0.0776
Brugia malayi Serotonin receptor 0.0023 0.0308 0.0335
Echinococcus multilocularis somatostatin receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0114 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2446 0.3189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0375 0.0504
Loa Loa (eye worm) hypothetical protein 0.0049 0.113 0.1516
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0.0308 0.0293
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0254 0.7454 1
Echinococcus multilocularis g protein coupled receptor 0.0023 0.0308 0.0293
Brugia malayi beta-lactamase family protein 0.0036 0.0732 0.0909
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0023 0.0308 0.0281
Loa Loa (eye worm) TYRA-2 protein 0.0023 0.0308 0.0413
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.0086
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0101 0.0056
Schistosoma mansoni amine GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.003 0.0527 0.0708
Toxoplasma gondii ABC1 family protein 0.0036 0.0732 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0048 0.1081 0.1381
Echinococcus granulosus g-protein coupled receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0732 0.0718
Schistosoma mansoni myosin xvIII 0.0023 0.0308 0.0281
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) Smad1 0.0016 0.0114 0.0153
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0234 0.172
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0023 0.0308 0.0281
Brugia malayi Melatonin receptor type 1A 0.0023 0.0308 0.0335
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0038 0.077 0.1068
Brugia malayi Dopamine receptor 0.0023 0.0308 0.0335
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2446 0.3227
Echinococcus multilocularis musashi 0.0027 0.0451 0.0436
Echinococcus granulosus g protein coupled receptor 0.0023 0.0308 0.0293
Onchocerca volvulus 0.0027 0.0451 0.0217
Loa Loa (eye worm) hypothetical protein 0.0042 0.0914 0.1226
Schistosoma mansoni neuropeptide f receptor 76f 0.0023 0.0308 0.0281
Echinococcus granulosus serotonin receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis g protein coupled receptor 0.0023 0.0308 0.0293
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0732 0.0858
Echinococcus granulosus alpha 1A adrenergic receptor 0.0023 0.0308 0.0293
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.0308 0.0293
Schistosoma mansoni opsin-like receptor 0.0023 0.0308 0.0281
Echinococcus granulosus geminin 0.0169 0.4833 0.4825
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis neuropeptide receptor A26 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi TAR-binding protein 0.0254 0.7454 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0732 0.1012
Echinococcus granulosus 7TM GPCR rhodopsin 0.0023 0.0308 0.0293
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0732 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0114 0.0099
Echinococcus multilocularis serotonin receptor 0.0023 0.0308 0.0293
Mycobacterium ulcerans thioesterase 0.0021 0.0256 0.2064
Echinococcus multilocularis neuropeptide receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0023 0.0308 0.0293
Echinococcus granulosus neuropeptides capa receptor 0.0023 0.0308 0.0293
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0386 0.4065
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0038 0.077 0.1068
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0023 0.0308 0.0281
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0335 0.0449
Schistosoma mansoni growth hormone secretagogue receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis G-protein coupled receptor, putative 0.0023 0.0308 0.0293
Schistosoma mansoni tar DNA-binding protein 0.0254 0.7454 1
Brugia malayi MH2 domain containing protein 0.0016 0.0114 0.0073
Brugia malayi Pre-SET motif family protein 0.0207 0.6009 0.8046
Echinococcus granulosus neuropeptide receptor 0.0023 0.0308 0.0293
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.0308 0.0281
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0732 0.0858
Schistosoma mansoni smad1 5 8 and 0.0016 0.0114 0.0017
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Echinococcus granulosus GPCR family 2 0.0016 0.0101 0.0086
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0732 0.1012
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.0308 0.0293
Schistosoma mansoni hypothetical protein 0.0023 0.0308 0.0281
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.7013 0.9408
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0527 0.0513
Loa Loa (eye worm) hypothetical protein 0.0026 0.0413 0.0554
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.0308 0.0281
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0386 0.4065
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0.0308 0.0293
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Schistosoma mansoni neuropeptide receptor 0.0023 0.0308 0.0281
Brugia malayi putative neuropeptide receptor NPR1 0.0023 0.0308 0.0335
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1164 0.1493
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus allatostatin A receptor 0.0023 0.0308 0.0293
Echinococcus granulosus fmrfamide receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.005 0.1164 0.1562
Schistosoma mansoni lamin 0.0027 0.0451 0.0475
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Brugia malayi MH1 domain containing protein 0.0016 0.0114 0.0073
Echinococcus granulosus intermediate filament protein 0.0027 0.0451 0.0436
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium ulcerans polyketide synthase Pks13 0.0038 0.077 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0434 0.481
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0023 0.0308 0.0335
Echinococcus granulosus orexin receptor type 2 0.0023 0.0308 0.0293
Echinococcus granulosus neuropeptide receptor A26 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi Pre-SET motif family protein 0.003 0.0527 0.0632
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0023 0.0308 0.0281
Echinococcus granulosus neuropeptide Y receptor 0.0023 0.0308 0.0293
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0732 0.1012
Leishmania major hypothetical protein, conserved 0.0036 0.0732 1
Brugia malayi G-protein coupled receptor 0.0023 0.0308 0.0335
Echinococcus multilocularis g protein coupled receptor 0.0023 0.0308 0.0293
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0732 0.0909
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.0308 0.0413
Echinococcus granulosus Smad4 0.0016 0.0114 0.0099
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0451 0.0605
Brugia malayi hypothetical protein 0.0026 0.0413 0.0477
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.0308 0.0281
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0386 0.0498
Echinococcus granulosus lamin dm0 0.0027 0.0451 0.0436
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0335 0.0372
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni amine GPCR 0.0023 0.0308 0.0281
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0013 0.0015 0.0021
Mycobacterium ulcerans polyketide synthase 0.0025 0.0386 0.4065
Brugia malayi intermediate filament protein 0.0027 0.0451 0.0528
Mycobacterium ulcerans hypothetical protein 0.0036 0.0732 0.9423
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0023 0.0308 0.0281
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0023 0.0308 0.0293
Brugia malayi RE15519p 0.0023 0.0308 0.0335
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0114 0.0099
Echinococcus multilocularis neuropeptide receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0023 0.0308 0.0413
Echinococcus multilocularis G protein coupled receptor 139 0.0023 0.0308 0.0293
Schistosoma mansoni tar DNA-binding protein 0.0254 0.7454 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.113 0.1399
Echinococcus multilocularis tar DNA binding protein 0.0254 0.7454 0.745
Onchocerca volvulus 0.0236 0.6894 1
Echinococcus multilocularis neuropeptide s receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.0308 0.0413
Brugia malayi Serotonin receptor 0.0023 0.0308 0.0335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0732 1
Schistosoma mansoni Smad4 0.0016 0.0114 0.0017
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.0308 0.0293
Mycobacterium leprae Probable lipase LipE 0.0036 0.0732 0.9423
Plasmodium vivax SET domain protein, putative 0.003 0.0527 0.3583
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0023 0.0308 0.0413
Schistosoma mansoni neuropeptide receptor 0.0023 0.0308 0.0281
Brugia malayi MH2 domain containing protein 0.0239 0.7013 0.9404
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0256 0.0305
Onchocerca volvulus 0.0049 0.113 0.1249
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Echinococcus multilocularis g-protein coupled receptor 0.0023 0.0308 0.0293
Echinococcus granulosus neuropeptide FF receptor 2 0.0023 0.0308 0.0293
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0234 0.172
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0732 0.9423
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0.0308 0.0293
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0386 0.0498
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Brugia malayi neuropeptide F receptor 0.0023 0.0308 0.0335
Brugia malayi GnHR receptor homolog 0.0023 0.0308 0.0335
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0527 0.0513
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus neuropeptide receptor 0.0023 0.0308 0.0293
Brugia malayi MH1 domain containing protein 0.0016 0.0114 0.0073
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Echinococcus multilocularis geminin 0.0169 0.4833 0.4825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2446 0.3189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Echinococcus granulosus somatostatin receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni hypothetical protein 0.0023 0.0308 0.0281
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0023 0.0308 0.0281
Echinococcus granulosus G protein coupled receptor 139 0.0023 0.0308 0.0293
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0016 0.0101 0.0136
Schistosoma mansoni hypothetical protein 0.0023 0.0308 0.0281
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0732 0.1012
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0434 0.481
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0114 0.0017
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0413 0.5627
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0527 0.0579
Echinococcus multilocularis dro:myosuppressin receptor 0.0023 0.0308 0.0293
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Mycobacterium ulcerans polyketide synthase 0.0027 0.0434 0.481
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0527 0.0579
Schistosoma mansoni opsin-like receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.0086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0732 0.9423
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.0086
Schistosoma mansoni intermediate filament proteins 0.0027 0.0451 0.0475
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0114 0.0153
Schistosoma mansoni biogenic amine receptor 0.0023 0.0308 0.0281
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0732 0.1012
Onchocerca volvulus 0.0044 0.0961 0.0992
Schistosoma mansoni tar DNA-binding protein 0.0254 0.7454 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Brugia malayi hypothetical protein 0.0017 0.0128 0.0092
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.0308 0.0281
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0.0308 0.0293
Echinococcus granulosus sex peptide receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium tuberculosis Conserved protein 0.0036 0.0732 0.1012
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0527 0.0513
Echinococcus granulosus hypothetical protein 0.0023 0.0308 0.0293
Echinococcus granulosus g protein coupled receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0036 0.0732 0.0983
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.1009 0.1065
Schistosoma mansoni amine GPCR 0.0023 0.0308 0.0281
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0386 0.4065
Echinococcus multilocularis Smad4 0.0016 0.0114 0.0099
Echinococcus multilocularis GPCR, family 2 0.0016 0.0101 0.0086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0023 0.0308 0.0335
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0023 0.0308 0.0281
Echinococcus multilocularis fmrfamide receptor 0.0023 0.0308 0.0293
Brugia malayi G-protein coupled receptor 0.0023 0.0308 0.0335
Brugia malayi RNA recognition motif domain containing protein 0.0254 0.7454 1
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.0308 0.0293
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0672 0.0828
Brugia malayi Dopamine receptor protein 2 0.0023 0.0308 0.0335
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0386 0.4065
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0362 0.0462
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0.0308 0.0293
Brugia malayi hypothetical protein 0.0023 0.0308 0.0335
Brugia malayi larval opioid receptor 0.0023 0.0308 0.0335
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0023 0.0308 0.0293
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.0308 0.0281
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0362 0.0462
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.0308 0.0293
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0162 0.2194
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0256 0.2064
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni hypothetical protein 0.0169 0.4833 0.6436
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413
Schistosoma mansoni histamine h1 receptor 0.0023 0.0308 0.0281
Echinococcus granulosus peptide allatostatin:somatostatin 0.0023 0.0308 0.0293
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0114 0.0153
Brugia malayi sulfakinin receptor protein 0.0023 0.0308 0.0335
Brugia malayi G protein-coupled receptor F59B2.13 0.0023 0.0308 0.0335
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1164 0.1562
Brugia malayi Dopamine receptor protein 1 0.0023 0.0308 0.0335
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0732 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0101 0.0056
Echinococcus granulosus lamin 0.0027 0.0451 0.0436
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.0308 0.0293
Echinococcus granulosus tar DNA binding protein 0.0254 0.7454 0.745
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0434 0.481
Schistosoma mansoni hypothetical protein 0.0023 0.0308 0.0281
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.6009 0.8062
Onchocerca volvulus 0.003 0.0527 0.0334
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0732 0.0718
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0023 0.0308 0.0293
Brugia malayi beta-lactamase family protein 0.0036 0.0732 0.0909
Brugia malayi RNA binding protein 0.0254 0.7454 1
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0.0308 0.0293
Schistosoma mansoni smad 0.0016 0.0114 0.0017
Schistosoma mansoni smad1 5 8 and 0.0016 0.0114 0.0017
Echinococcus granulosus neuropeptide Y receptor 0.0023 0.0308 0.0293
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0.0308 0.0293
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0244 0.0287
Brugia malayi putative neuropeptide receptor 0.0023 0.0308 0.0335
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0732 0.1012
Echinococcus granulosus g protein coupled receptor 0.0023 0.0308 0.0293
Echinococcus multilocularis orexin receptor type 2 0.0023 0.0308 0.0293
Echinococcus granulosus dro:myosuppressin receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.7013 0.9408
Brugia malayi beta-lactamase 0.0036 0.0732 0.0909
Schistosoma mansoni adenoreceptor 0.0023 0.0308 0.0281
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0167 0.0173
Mycobacterium leprae Polyketide synthase Pks13 0.0038 0.077 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0386 0.0441
Echinococcus multilocularis fmrfamide receptor 0.0023 0.0308 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.0308 0.0413

Activities

Activity type Activity value Assay description Source Reference
ED20 (functional) 0 mg kg-1 Cardiovascular activity (as 20% decrease in rate) in rats; NT means not tested ChEMBL. 3005574
ED20 (functional) 0 mg kg-1 Cardiovascular activity (as 20% decrease in blood pressure) in rats; NT means not tested ChEMBL. 3005574
Ki (binding) > 10000 nM Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]-CHA as radioligand ChEMBL. 3005574
Ki (binding) > 10000 nM Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]-NECA as radioligand ChEMBL. 3005574
Ki (binding) > 10000 nM Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]-CHA as radioligand ChEMBL. 3005574
Ki (binding) > 10000 nM Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]-NECA as radioligand ChEMBL. 3005574
LAD (functional) > 100 mg kg-1 Dose required to inhibit mouse locomotor activity by 60% ChEMBL. 3005574
LAD (functional) > 100 mg kg-1 CNS activity measured using screen test failure ChEMBL. 3005574
LAD (functional) > 100 mg kg-1 Dose required to inhibit mouse locomotor activity by 60% ChEMBL. 3005574
LAD (functional) > 100 mg kg-1 CNS activity measured using screen test failure ChEMBL. 3005574

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

Bibliographic References

1 literature reference was collected for this gene.

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