Detailed information for compound 184159

Basic information

Technical information
  • TDR Targets ID: 184159
  • Name: 8-[4-[4-(1-oxo-1,2-benzothiazol-3-yl)piperazi n-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • MW: 456.601 | Formula: C24H32N4O3S
  • H donors: 0 H acceptors: 4 LogP: 3.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=N[S+](c2c1cccc2)[O-]
  • InChi: 1S/C24H32N4O3S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)32(31)25-23/h1-2,7-8H,3-6,9-18H2
  • InChiKey: GFBGRSMRRPPLGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[4-[4-(1-oxo-1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • 8-[4-[4-(1-keto-1,2-benzothiazol-3-yl)piperazino]butyl]-8-azaspiro[4.5]decane-7,9-quinone
  • 8-[4-[4-(1-keto-1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-quinone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii hypothetical protein 0.0122 0.1809 0.1803
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0045 0.0452 0.0444
Brugia malayi G protein-coupled receptor 0.0045 0.0452 0.0452
Leishmania major carbonic anhydrase-like protein 0.0225 0.3644 0.364
Echinococcus multilocularis neuropeptide Y receptor 0.0045 0.0452 0.0444
Schistosoma mansoni neuropeptide receptor 0.0045 0.0452 0.0452
Brugia malayi larval opioid receptor 0.0045 0.0452 0.0452
Schistosoma mansoni opsin-like receptor 0.0045 0.0452 0.0452
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0071 0.0899 0.0899
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0045 0.0452 0.0444
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0071 0.0899 0.0899
Echinococcus multilocularis neuropeptide Y receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis serotonin receptor 0.0045 0.0452 0.0444
Echinococcus granulosus fmrfamide receptor 0.0045 0.0452 0.0444
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0.0452 0.0444
Brugia malayi hypothetical protein 0.0029 0.0154 0.0154
Brugia malayi putative neuropeptide receptor 0.0045 0.0452 0.0452
Brugia malayi Serotonin receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis carbonic anhydrase II 0.0225 0.3644 0.364
Echinococcus multilocularis g protein coupled receptor 0.0045 0.0452 0.0444
Echinococcus granulosus hypothetical protein 0.0045 0.0452 0.0444
Echinococcus multilocularis neuropeptide receptor A26 0.0045 0.0452 0.0444
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0225 0.3644 0.3644
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0581 1 1
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Loa Loa (eye worm) melatonin receptor type 1A 0.0045 0.0452 0.0452
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0581 1 1
Brugia malayi sulfakinin receptor protein 0.0045 0.0452 0.0452
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptide receptor A26 0.0045 0.0452 0.0444
Brugia malayi G-protein coupled receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Echinococcus granulosus G protein coupled receptor 139 0.0045 0.0452 0.0444
Echinococcus multilocularis neuropeptide FF receptor 2 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni adenoreceptor 0.0045 0.0452 0.0452
Echinococcus multilocularis neuropeptide s receptor 0.0045 0.0452 0.0444
Echinococcus granulosus carbonic anhydrase 0.0122 0.1809 0.1803
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0581 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0045 0.0452 0.0452
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0071 0.0899 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0.0452 0.0452
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0581 1 1
Schistosoma mansoni amine GPCR 0.0045 0.0452 0.0452
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0225 0.3644 0.364
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0581 1 1
Onchocerca volvulus 0.0045 0.0452 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0071 0.0899 0.0899
Echinococcus multilocularis neuropeptides capa receptor 0.0045 0.0452 0.0444
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0225 0.3644 0.3644
Onchocerca volvulus 0.0045 0.0452 1
Schistosoma mansoni hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Onchocerca volvulus 0.0045 0.0452 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0045 0.0452 0.0452
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0045 0.0452 0.0444
Echinococcus granulosus g-protein coupled receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0008 0.0008
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0225 0.3644 0.364
Echinococcus granulosus neuropeptide receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0071 0.0899 0.0892
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus orexin receptor type 2 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus dro:myosuppressin receptor 0.0045 0.0452 0.0444
Schistosoma mansoni ap endonuclease 0.0021 0.0008 0.0008
Onchocerca volvulus 0.0029 0.0154 0.3413
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0045 0.0452 0.0452
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0122 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis carbonic anhydrase 0.0122 0.1809 0.1803
Echinococcus granulosus neuropeptide receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis neuropeptide receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis allatostatin A receptor 0.0045 0.0452 0.0444
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0581 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0045 0.0452 0.0452
Entamoeba histolytica tartrate dehydrogenase, putative 0.0071 0.0899 0.716
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0045 0.0452 0.0452
Echinococcus multilocularis somatostatin receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis G protein coupled receptor 139 0.0045 0.0452 0.0444
Brugia malayi G protein-coupled receptor F59B2.13 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni amine GPCR 0.0045 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi Isocitrate dehydrogenase 0.0581 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1809 0.1809
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0071 0.0899 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi Dopamine receptor protein 2 0.0045 0.0452 0.0452
Brugia malayi GnHR receptor homolog 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi Dopamine receptor protein 1 0.0045 0.0452 0.0452
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Schistosoma mansoni carbonic anhydrase-related 0.0122 0.1809 0.1809
Echinococcus granulosus tachykinin peptides receptor 99D 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) carbonic anhydrase 3 0.0225 0.3644 0.3644
Echinococcus granulosus biogenic amine 5HT receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0045 0.0452 0.0444
Echinococcus granulosus g protein coupled receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0071 0.0899 0.0899
Brugia malayi AKH receptor 0.0045 0.0452 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0.0452 0.0444
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0071 0.0899 0.0892
Onchocerca volvulus 0.0045 0.0452 1
Echinococcus multilocularis fmrfamide receptor 0.0045 0.0452 0.0444
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptide s receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) TYRA-2 protein 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Echinococcus multilocularis carbonic anhydrase 0.0122 0.1809 0.1803
Schistosoma mansoni neuropeptide receptor 0.0045 0.0452 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Loa Loa (eye worm) G-protein coupled receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis g-protein coupled receptor 0.0045 0.0452 0.0444
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0045 0.0452 0.0452
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.1809 0.1809
Echinococcus multilocularis serotonin receptor 0.0045 0.0452 0.0444
Echinococcus granulosus somatostatin receptor 0.0045 0.0452 0.0444
Plasmodium falciparum carbonic anhydrase 0.0122 0.1809 0.1803
Onchocerca volvulus 0.0045 0.0452 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Echinococcus granulosus sex peptide receptor 0.0045 0.0452 0.0444
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0225 0.3644 0.3644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0581 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1252 0.1252
Schistosoma mansoni amine GPCR 0.0045 0.0452 0.0452
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptide Y receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0.0452 0.0444
Schistosoma mansoni opsin-like receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis g protein coupled receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) isocitrate dehydrogenase 0.0581 1 1
Brugia malayi neuropeptide F receptor 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0045 0.0452 0.0452
Brugia malayi Dopamine receptor 0.0045 0.0452 0.0452
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus carbonic anhydrase 0.0122 0.1809 0.1803
Schistosoma mansoni carbonic anhydrase 0.0122 0.1809 0.1809
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0045 0.0452 0.0452
Echinococcus granulosus allatostatin A receptor 0.0045 0.0452 0.0444
Trypanosoma brucei carbonic anhydrase-like protein 0.0225 0.3644 0.364
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0008 0.0008
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0071 0.0899 0.0899
Echinococcus multilocularis isocitrate dehydrogenase 0.0581 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0045 0.0452 0.0444
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Schistosoma mansoni isocitrate dehydrogenase 0.0071 0.0899 0.0899
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0045 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0154 0.0154
Brugia malayi ORL1-like opioid receptor 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus aryl hydrocarbon receptor 0.0029 0.0154 0.0147
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0.0452 0.0444
Echinococcus granulosus alpha 1A adrenergic receptor 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi putative neuropeptide receptor NPR1 0.0045 0.0452 0.0452
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0045 0.0452 0.0452
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0071 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0029 0.0154 0.0154
Schistosoma mansoni unc-13 (munc13) 0.0071 0.0899 0.0899
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Echinococcus multilocularis neuropeptide receptor 0.0045 0.0452 0.0444
Brugia malayi Serotonin receptor 0.0045 0.0452 0.0452
Schistosoma mansoni opsin-like receptor 0.0045 0.0452 0.0452
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0.0452 0.0452
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0122 0.1809 0.1809
Echinococcus multilocularis dro:myosuppressin receptor 0.0045 0.0452 0.0444
Schistosoma mansoni biogenic amine receptor 0.0045 0.0452 0.0452
Schistosoma mansoni neuropeptide receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis carbonic anhydrase 0.0122 0.1809 0.1803
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus 7tm_1 domain containing protein 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni carbonic anhydrase-related 0.0122 0.1809 0.1809
Schistosoma mansoni biogenic amine receptor 0.0045 0.0452 0.0452
Schistosoma mansoni alpha-1 adrenergic receptor 0.0045 0.0452 0.0452
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.1252 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi G-protein coupled receptor 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptides capa receptor 0.0045 0.0452 0.0444
Onchocerca volvulus 0.0045 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi follicle stimulating hormone receptor 0.0045 0.0452 0.0452
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0045 0.0452 0.0444
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0225 0.3644 0.3644
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus carbonic anhydrase 0.0122 0.1809 0.1803
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0045 0.0452 0.0444
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0045 0.0452 0.0444
Brugia malayi Melatonin receptor type 1A 0.0045 0.0452 0.0452
Schistosoma mansoni ap endonuclease 0.0021 0.0008 0.0008
Onchocerca volvulus 0.0045 0.0452 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0045 0.0452 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0071 0.0899 0.0892
Brugia malayi neuropeptide F receptor 0.0045 0.0452 0.0452
Schistosoma mansoni neuropeptide f receptor 76f 0.0045 0.0452 0.0452
Echinococcus granulosus g protein coupled receptor 0.0045 0.0452 0.0444
Schistosoma mansoni neuropeptide receptor 0.0045 0.0452 0.0452
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0581 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0581 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Toxoplasma gondii isocitrate dehydrogenase 0.0581 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.1809 0.1809
Brugia malayi Probable isocitrate dehydrogenase 0.0071 0.0899 0.0899
Onchocerca volvulus 0.0045 0.0452 1
Echinococcus granulosus g protein coupled receptor 0.0045 0.0452 0.0444
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0045 0.0452 0.0452
Loa Loa (eye worm) G-protein coupled receptor 0.0045 0.0452 0.0452
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.1252 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0581 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0.0452 0.0444
Echinococcus multilocularis fmrfamide receptor 0.0045 0.0452 0.0444
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0045 0.0452 0.0444
Schistosoma mansoni carbonic anhydrase-related 0.0122 0.1809 0.1809
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0581 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0122 0.1809 0.1809
Echinococcus granulosus biogenic amine 5HT receptor 0.0045 0.0452 0.0444
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0.0452 0.0452
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0045 0.0452 0.0452
Brugia malayi Probable isocitrate dehydrogenase 0.0071 0.0899 0.0899
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0045 0.0452 0.0452
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0122 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Leishmania major isocitrate dehydrogenase, putative 0.0071 0.0899 0.0892
Echinococcus multilocularis neuropeptides capa receptor 0.0045 0.0452 0.0444
Echinococcus granulosus serotonin receptor 0.0045 0.0452 0.0444
Echinococcus multilocularis g protein coupled receptor 0.0045 0.0452 0.0444
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0045 0.0452 0.0444
Schistosoma mansoni histamine h1 receptor 0.0045 0.0452 0.0452
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0452 0.0452
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Onchocerca volvulus 0.0045 0.0452 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0008 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0581 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus peptide allatostatin:somatostatin 0.0045 0.0452 0.0444
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0045 0.0452 0.0444
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus multilocularis sex peptide receptor 0.0045 0.0452 0.0444
Schistosoma mansoni amine GPCR 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) neuropeptide F receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0071 0.0899 0.0892
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0122 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptide FF receptor 2 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0452 0.0452
Schistosoma mansoni biogenic amine receptor 0.0045 0.0452 0.0452
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0581 1 1
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0071 0.0899 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0581 1 1
Brugia malayi RE15519p 0.0045 0.0452 0.0452
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0045 0.0452 0.0444
Loa Loa (eye worm) hypothetical protein 0.0122 0.1809 0.1809
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0071 0.0899 0.0892
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0452 0.0452
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Onchocerca volvulus 0.0045 0.0452 1
Brugia malayi hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0452 0.0452
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0.0452 0.0452
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0225 0.3644 0.3644
Schistosoma mansoni myosin xvIII 0.0045 0.0452 0.0452
Echinococcus multilocularis aryl hydrocarbon receptor 0.0029 0.0154 0.0147
Echinococcus granulosus neuropeptides capa receptor 0.0045 0.0452 0.0444
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0045 0.0452 0.0444
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0071 0.0899 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0.0452 0.0444
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.1809 0.1809
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0581 1 1
Schistosoma mansoni amine GPCR 0.0045 0.0452 0.0452
Echinococcus multilocularis orexin receptor type 2 0.0045 0.0452 0.0444
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0045 0.0452 0.0452
Echinococcus granulosus carbonic anhydrase II 0.0225 0.3644 0.364
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.0452
Echinococcus granulosus neuropeptide Y receptor 0.0045 0.0452 0.0444

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 11 mg kg-1 In vivo inhibition of conditional avoidance response in rats(CAR), after ChEMBL. 1683407
IC50 (binding) nM Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]-WB-4101 as radioligand;IA-Inactive ChEMBL. 1683407
IC50 (binding) nM Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand; IA-Inactive ChEMBL. 1683407
IC50 (binding) nM Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor; IA-Inactive ChEMBL. 1683407
IC50 (binding) nM Binding affinity against dopamine receptor D2 in rat corpus striatal tissue using [3H]-spiperone as radioligand;IA-Inactive ChEMBL. 1683407
IC50 (binding) 0 nM Binding affinity against dopamine receptor D2 in rat corpus striatal tissue using [3H]-spiperone as radioligand;IA-Inactive ChEMBL. 1683407
IC50 (binding) 0 nM Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor; IA-Inactive ChEMBL. 1683407
IC50 (binding) 0 nM Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand; IA-Inactive ChEMBL. 1683407
IC50 (binding) 0 nM Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]-WB-4101 as radioligand;IA-Inactive ChEMBL. 1683407

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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