Detailed information for compound 1400697

Basic information

Technical information
  • TDR Targets ID: 1400697
  • Name: pyrazin-2-yl-[(5S)-3-pyrimidin-2-yl-3,9-diaza spiro[4.5]decan-9-yl]methanone
  • MW: 324.38 | Formula: C17H20N6O
  • H donors: 0 H acceptors: 5 LogP: 0.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC[C@]2(C1)CCN(C2)c1ncccn1)c1nccnc1
  • InChi: 1S/C17H20N6O/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16/h2,5-8,11H,1,3-4,9-10,12-13H2/t17-/m1/s1
  • InChiKey: CAFIDQHVUUYSMM-QGZVFWFLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-pyrazinyl-[(5S)-3-(2-pyrimidinyl)-3,9-diazaspiro[4.5]decan-9-yl]methanone
  • NCGC00012777
  • PCOP-937285

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neuropeptide FF receptor 2 0.0016 0.0406 0.0402
Echinococcus multilocularis g-protein coupled receptor 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0363 0.0235
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0455 0.0329
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni topbp1 0.0011 0.0203 0.0106
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0406 0.0402
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.033 0.194
Onchocerca volvulus 0.0016 0.0406 0.0207
Onchocerca volvulus 0.0016 0.0406 0.0207
Schistosoma mansoni hypothetical protein 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0804 0.0683
Brugia malayi G-protein coupled receptor 0.0016 0.0406 0.0279
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0206 0.0076
Echinococcus granulosus tachykinin peptides receptor 99D 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0855 1
Schistosoma mansoni neuropeptide receptor 0.0016 0.0406 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Echinococcus multilocularis geminin 0.0185 0.6977 1
Brugia malayi follicle stimulating hormone receptor 0.0016 0.0406 0.0279
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0406 0.0402
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0203 0.2379
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi Dopamine receptor 0.0016 0.0406 0.0279
Onchocerca volvulus 0.0016 0.0406 0.0207
Loa Loa (eye worm) melatonin receptor type 1A 0.0016 0.0406 0.0279
Brugia malayi neuropeptide F receptor 0.0016 0.0406 0.0279
Echinococcus granulosus bloom syndrome protein 0.0026 0.0804 0.0984
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0206 0.011
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi GnHR receptor homolog 0.0016 0.0406 0.0279
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0206 0.0076
Leishmania major cytochrome p450-like protein 0.0015 0.0363 0.0622
Onchocerca volvulus 0.0016 0.0406 0.0207
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0855 1
Echinococcus granulosus dro:myosuppressin receptor 0.0016 0.0406 0.0402
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0363 0.2441
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0455 0.0474
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0016 0.0406 0.0402
Echinococcus granulosus GPCR family 2 0.0017 0.0455 0.0474
Schistosoma mansoni DNA helicase recq1 0.0011 0.0206 0.011
Brugia malayi Tachykinin-like peptides receptor 99D 0.0016 0.0406 0.0279
Treponema pallidum DNA ligase (lig) 0.0011 0.0203 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.059 0.0671
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni growth hormone secretagogue receptor 0.0016 0.0406 0.0402
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0206 1
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0406 0.0402
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1232 0.1116
Echinococcus granulosus allatostatin A receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0455 0.0474
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2474 0.3423
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0265 0.0197
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0016 0.0406 0.0279
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0406 0.0402
Entamoeba histolytica recQ family helicase, putative 0.0014 0.033 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0018 0.0476 0.035
Echinococcus multilocularis neuropeptide s receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0406 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus orexin receptor type 2 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0017 0.0455 0.0474
Echinococcus granulosus tar DNA binding protein 0.0069 0.2474 0.3423
Brugia malayi MH2 domain containing protein 0.013 0.4852 0.4784
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0406 0.0279
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0406 0.0402
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0203 0.0074
Schistosoma mansoni DNA ligase IV 0.0011 0.0203 0.0106
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi TAR-binding protein 0.0069 0.2474 0.2374
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0406 0.0279
Echinococcus multilocularis serotonin receptor 0.0016 0.0406 0.0402
Brugia malayi neuropeptide F receptor 0.0016 0.0406 0.0279
Schistosoma mansoni myosin xvIII 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0406 0.0402
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0206 0.011
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0016 0.0406 0.0207
Echinococcus granulosus hypothetical protein 0.0016 0.0406 0.0402
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0406 0.0402
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0855 1
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0406 0.0402
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2474 0.3423
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0016 0.0406 0.0402
Brugia malayi Cytochrome P450 family protein 0.0015 0.0363 0.0235
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0185 0.6977 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0016 0.0406 0.0279
Brugia malayi hypothetical protein 0.0011 0.0203 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2474 0.3423
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0016 0.0406 0.0279
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0406 0.0402
Schistosoma mansoni opsin-like receptor 0.0016 0.0406 0.0402
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis allatostatin A receptor 0.0016 0.0406 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Brugia malayi ORL1-like opioid receptor 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0028 0.0855 0.0734
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni amine GPCR 0.0016 0.0406 0.0402
Schistosoma mansoni neuropeptide receptor 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0016 0.0406 0.0279
Brugia malayi Dopamine receptor protein 1 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0037 0.1232 0.1116
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0406 0.0402
Echinococcus granulosus serotonin receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi DKFZp564C0469 protein 0.0011 0.0203 0.0074
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus g protein coupled receptor 0.0016 0.0406 0.0402
Brugia malayi Melatonin receptor type 1A 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0016 0.0406 0.0279
Echinococcus granulosus somatostatin receptor 0.0016 0.0406 0.0402
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0455 0.0329
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptide receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0406 0.0279
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0203 0.6167
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0855 1
Schistosoma mansoni opsin-like receptor 0.0016 0.0406 0.0402
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0855 1
Onchocerca volvulus 0.0016 0.0406 0.0207
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0855 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0016 0.0406 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Brugia malayi RE15519p 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni hypothetical protein 0.0012 0.0265 0.0197
Echinococcus granulosus neuropeptide s receptor 0.0016 0.0406 0.0402
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0203 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis neuropeptide FF receptor 2 0.0016 0.0406 0.0402
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0203 0.0074
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0363 0.0235
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus geminin 0.0185 0.6977 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis orexin receptor type 2 0.0016 0.0406 0.0402
Echinococcus granulosus g-protein coupled receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0406 0.0402
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2474 0.3423
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0016 0.0406 0.0279
Schistosoma mansoni neuropeptide receptor 0.0016 0.0406 0.0402
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0016 0.0406 0.0402
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.4852 0.4784
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0406 0.0402
Echinococcus multilocularis sex peptide receptor 0.0016 0.0406 0.0402
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0455 0.0474
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0016 0.0406 0.0402
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1901 0.1794
Echinococcus multilocularis dro:myosuppressin receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis G-protein coupled receptor, putative 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni hypothetical protein 0.0037 0.1232 0.1608
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2474 0.2374
Echinococcus multilocularis G protein coupled receptor 139 0.0016 0.0406 0.0402
Echinococcus multilocularis somatostatin receptor 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Onchocerca volvulus 0.0016 0.0406 0.0207
Onchocerca volvulus 0.0016 0.0406 0.0207
Onchocerca volvulus Neuropeptide F receptor homolog 0.0016 0.0406 0.0207
Brugia malayi Cytochrome P450 family protein 0.0015 0.0363 0.0235
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0406 0.0402
Onchocerca volvulus 0.0016 0.0406 0.0207
Brugia malayi sulfakinin receptor protein 0.0016 0.0406 0.0279
Echinococcus granulosus 7tm_1 domain containing protein 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Onchocerca volvulus 0.0016 0.0406 0.0207
Schistosoma mansoni neuropeptide f receptor 76f 0.0016 0.0406 0.0402
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0206 0.2411
Echinococcus granulosus alpha 1A adrenergic receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0363 0.0235
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0406 0.0402
Echinococcus granulosus G protein coupled receptor 139 0.0016 0.0406 0.0402
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0455 0.0474
Schistosoma mansoni hypothetical protein 0.0017 0.0455 0.0474
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0406 0.0402
Onchocerca volvulus 0.0016 0.0406 0.0207
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus 7TM GPCR rhodopsin 0.0016 0.0406 0.0402
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2474 0.2374
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0681 0.7321
Onchocerca volvulus 0.0016 0.0406 0.0207
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0804 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0076
Brugia malayi G-protein coupled receptor 0.0016 0.0406 0.0279
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0406 0.0402
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptide receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0406 0.0402
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0016 0.0406 0.0279
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.4852 0.4784
Brugia malayi hypothetical protein 0.0011 0.0203 0.0074
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0363 0.2441
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0016 0.0406 0.0402
Schistosoma mansoni amine GPCR 0.0016 0.0406 0.0402
Brugia malayi G protein-coupled receptor 0.0016 0.0406 0.0279
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0406 0.0402
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0406 0.0402
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.033 0.2104
Schistosoma mansoni amine GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0206 0.011
Echinococcus multilocularis nibrin 0.0011 0.0203 0.0106
Brugia malayi Serotonin receptor 0.0016 0.0406 0.0279
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1901 0.1794
Brugia malayi hypothetical protein 0.0028 0.0855 0.0734
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0363 0.2441
Echinococcus granulosus fmrfamide receptor 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0054 0.1901 0.1794
Onchocerca volvulus 0.0016 0.0406 0.0207
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0406 0.0402
Echinococcus granulosus neuropeptide receptor A26 0.0016 0.0406 0.0402
Schistosoma mansoni amine GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) RNA binding protein 0.0069 0.2474 0.2374
Echinococcus multilocularis serotonin receptor 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0017 0.0455 0.0474
Schistosoma mansoni biogenic amine receptor 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0185 0.6977 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0203 0.0106
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0206 0.0076
Brugia malayi putative neuropeptide receptor 0.0016 0.0406 0.0279
Schistosoma mansoni topbp1 0.0011 0.0203 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2474 0.3423
Schistosoma mansoni hypothetical protein 0.0016 0.0406 0.0402
Chlamydia trachomatis DNA ligase 0.0011 0.0203 0.5
Onchocerca volvulus 0.0016 0.0406 0.0207
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0475 0.4158
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0203 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Schistosoma mansoni histamine h1 receptor 0.0016 0.0406 0.0402
Schistosoma mansoni biogenic amine receptor 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0016 0.0406 0.0402
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0804 0.0984
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni adenoreceptor 0.0016 0.0406 0.0402
Brugia malayi Serotonin receptor 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0011 0.0197 0.0067
Brugia malayi topoisomerase 0.0011 0.0203 0.0074
Leishmania major hypothetical protein, conserved 0.0028 0.0855 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0466 0.5452
Schistosoma mansoni biogenic amine receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0016 0.0406 0.0279
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.033 0.194
Onchocerca volvulus 0.0016 0.0406 0.0207
Echinococcus granulosus g protein coupled receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0265 0.0197
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0203 0.0106
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0206 0.0042
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Onchocerca volvulus 0.0016 0.0406 0.0207
Brugia malayi G protein-coupled receptor F59B2.13 0.0016 0.0406 0.0279
Echinococcus granulosus peptide allatostatin:somatostatin 0.0016 0.0406 0.0402
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0406 0.0402
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0406 0.0402
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0016 0.0406 0.0279
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.0203 0.2379
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis GPCR, family 2 0.0017 0.0455 0.0474
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0406 0.0402
Schistosoma mansoni DNA helicase recq5 0.0011 0.0206 0.011
Brugia malayi putative neuropeptide receptor NPR1 0.0016 0.0406 0.0279
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0206 0.2411
Echinococcus multilocularis neuropeptide receptor A26 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0016 0.0406 0.0402
Brugia malayi larval opioid receptor 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0017 0.0455 0.0329
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2474 0.2374
Loa Loa (eye worm) hypothetical protein 0.0132 0.4914 0.4847
Schistosoma mansoni alpha-1 adrenergic receptor 0.0016 0.0406 0.0402
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0804 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0016 0.0406 0.0402
Brugia malayi RNA binding protein 0.0069 0.2474 0.2374
Schistosoma mansoni neuropeptide receptor 0.0016 0.0406 0.0402
Schistosoma mansoni opsin-like receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0206 0.011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Schistosoma mansoni hypothetical protein 0.0017 0.0455 0.0474
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0016 0.0406 0.0402
Onchocerca volvulus 0.0016 0.0406 0.0207
Loa Loa (eye worm) RecQ helicase 0.0026 0.0804 0.0683
Echinococcus granulosus sex peptide receptor 0.0016 0.0406 0.0402
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2474 0.3423
Echinococcus granulosus g protein coupled receptor 0.0016 0.0406 0.0402
Loa Loa (eye worm) TYRA-2 protein 0.0016 0.0406 0.0279
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0406 0.0402
Entamoeba histolytica hypothetical protein 0.0011 0.0203 0.6167
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0016 0.0406 0.0402
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0016 0.0406 0.0279
Onchocerca volvulus 0.0016 0.0406 0.0207
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Schistosoma mansoni amine GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0455 0.0329
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0406 0.0402
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1901 0.1794
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0406 0.0402
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0363 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0203 0.0106
Loa Loa (eye worm) hypothetical protein 0.0011 0.0203 0.0074
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0406 0.0279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0855 1
Brugia malayi AKH receptor 0.0016 0.0406 0.0279
Echinococcus granulosus nibrin 0.0011 0.0203 0.0106
Loa Loa (eye worm) hypothetical protein 0.0016 0.0406 0.0279
Brugia malayi Dopamine receptor protein 2 0.0016 0.0406 0.0279
Brugia malayi hypothetical protein 0.0016 0.0406 0.0279

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference

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

No literature references available for this target.

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