Detailed information for compound 1403720

Basic information

Technical information
  • TDR Targets ID: 1403720
  • Name: (8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2 ,1-jk]carbazol-3-yl)-acetonitrile
  • MW: 265.353 | Formula: C17H19N3
  • H donors: 0 H acceptors: 1 LogP: 2.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCN1CCn2c3C1CCCc3c1c2ccc(c1)C
  • InChi: 1S/C17H19N3/c1-12-5-6-15-14(11-12)13-3-2-4-16-17(13)20(15)10-9-19(16)8-7-18/h5-6,11,16H,2-4,8-10H2,1H3
  • InChiKey: PLUHIADPSDMRFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BAS 01026899
  • MLS001208050
  • SMR000515846
  • Oprea1_432131
  • Oprea1_843914

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neuropeptides capa receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0094 0.2207 0.2453
Schistosoma mansoni hypothetical protein 0.0094 0.2207 0.2207
Echinococcus multilocularis g protein coupled receptor 0.0094 0.2207 0.2453
Brugia malayi G protein-coupled receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0094 0.2207 0.2453
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus granulosus neuropeptide Y receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus granulosus allatostatin A receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis neuropeptide Y receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis fmrfamide receptor 0.0094 0.2207 0.2453
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0094 0.2207 0.2453
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.1249 0.1249
Echinococcus granulosus neuropeptide receptor 0.0094 0.2207 0.2453
Schistosoma mansoni hypothetical protein 0.0094 0.2207 0.2207
Brugia malayi neuropeptide F receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0094 0.2207 0.2453
Brugia malayi G protein-coupled receptor F59B2.13 0.0094 0.2207 0.2453
Schistosoma mansoni neuropeptide F-like receptor 0.0094 0.2207 0.2207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.1249 0.1249
Schistosoma mansoni amine GPCR 0.0094 0.2207 0.2207
Schistosoma mansoni adenoreceptor 0.0094 0.2207 0.2207
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0094 0.2207 0.2453
Echinococcus granulosus 7TM GPCR rhodopsin 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni opsin-like receptor 0.0094 0.2207 0.2207
Echinococcus granulosus orexin receptor type 2 0.0094 0.2207 0.2453
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Brugia malayi Dopamine receptor protein 1 0.0094 0.2207 0.2453
Loa Loa (eye worm) G-protein coupled receptor 0.0094 0.2207 0.2241
Schistosoma mansoni amine GPCR 0.0094 0.2207 0.2207
Schistosoma mansoni opsin-like receptor 0.0094 0.2207 0.2207
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Onchocerca volvulus 0.0094 0.2207 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus hyperpolarization activated cyclic 0.0049 0.0247 0.0274
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0094 0.2207 0.2207
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0049 0.0247 0.0274
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni neuropeptide receptor 0.0094 0.2207 0.2207
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0072 0.1249 0.1388
Echinococcus granulosus neuropeptide s receptor 0.0094 0.2207 0.2453
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0232 0.828 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi GnHR receptor homolog 0.0094 0.2207 0.2453
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0094 0.2207 0.2207
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0094 0.2207 0.2207
Brugia malayi G-protein coupled receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0049 0.0247 0.0274
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Brugia malayi neuropeptide F receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0094 0.2207 0.2241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Brugia malayi Serotonin receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) neuropeptide F receptor 0.0094 0.2207 0.2241
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0072 0.1249 0.1388
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0049 0.0247 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus granulosus somatostatin receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0094 0.2207 0.2453
Echinococcus granulosus alpha 1A adrenergic receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.2207 0.2453
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi putative neuropeptide receptor NPR1 0.0094 0.2207 0.2453
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis neuropeptide Y receptor 0.0094 0.2207 0.2453
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0049 0.0247 0.0274
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0049 0.0247 0.0274
Echinococcus multilocularis neuropeptides capa receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0094 0.2207 0.2453
Schistosoma mansoni hypothetical protein 0.0094 0.2207 0.2207
Echinococcus multilocularis neuropeptides capa receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0094 0.2207 0.2453
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0094 0.2207 0.2241
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus multilocularis orexin receptor type 2 0.0094 0.2207 0.2453
Echinococcus granulosus peptide allatostatin:somatostatin 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus neuropeptide receptor A26 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi G-protein coupled receptor 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0094 0.2207 0.2207
Brugia malayi larval opioid receptor 0.0094 0.2207 0.2453
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0248 0.8998 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0094 0.2207 0.2241
Brugia malayi Tachykinin-like peptides receptor 99D 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) neuropeptide F receptor 0.0094 0.2207 0.2241
Echinococcus multilocularis serotonin receptor 0.0094 0.2207 0.2453
Echinococcus granulosus g protein coupled receptor 0.0094 0.2207 0.2453
Schistosoma mansoni amine GPCR 0.0094 0.2207 0.2207
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0049 0.0247 0.0274
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0094 0.2207 0.2207
Echinococcus granulosus neuropeptide FF receptor 2 0.0094 0.2207 0.2453
Echinococcus granulosus biogenic amine 5HT receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Onchocerca volvulus Neuropeptide F receptor homolog 0.0094 0.2207 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.2207 0.2453
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0094 0.2207 0.2207
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Echinococcus multilocularis serotonin receptor 0.0094 0.2207 0.2453
Brugia malayi putative neuropeptide receptor 0.0094 0.2207 0.2453
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni neuropeptide receptor 0.0094 0.2207 0.2207
Echinococcus granulosus neuropeptides capa receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis voltage gated potassium channel 0.0072 0.1249 0.1388
Loa Loa (eye worm) G-protein coupled receptor 0.0094 0.2207 0.2241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.2207 0.2207
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0248 0.8998 1
Echinococcus multilocularis allatostatin A receptor 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine (5HT) receptor 0.0094 0.2207 0.2207
Brugia malayi Dopamine receptor protein 2 0.0094 0.2207 0.2453
Echinococcus multilocularis neuropeptide receptor 0.0094 0.2207 0.2453
Schistosoma mansoni amine GPCR 0.0094 0.2207 0.2207
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.2207 0.2453
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0094 0.2207 0.2453
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0049 0.0247 0.0274
Echinococcus granulosus hyperpolarization activated cyclic 0.0049 0.0247 0.0274
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0094 0.2207 0.2453
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi AKH receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis fmrfamide receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis somatostatin receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis G protein coupled receptor 139 0.0094 0.2207 0.2453
Loa Loa (eye worm) TYRA-2 protein 0.0094 0.2207 0.2241
Schistosoma mansoni neuropeptide receptor 0.0094 0.2207 0.2207
Schistosoma mansoni neuropeptide F-like receptor 0.0094 0.2207 0.2207
Schistosoma mansoni amine GPCR 0.0094 0.2207 0.2207
Echinococcus multilocularis hyperpolarization activated cyclic 0.0049 0.0247 0.0274
Onchocerca volvulus 0.0094 0.2207 0.5
Onchocerca volvulus 0.0094 0.2207 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0094 0.2207 0.2453
Echinococcus granulosus tachykinin peptides receptor 99D 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0232 0.828 1
Brugia malayi sulfakinin receptor protein 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus g protein coupled receptor 0.0094 0.2207 0.2453
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine receptor 0.0094 0.2207 0.2207
Echinococcus multilocularis neuropeptide receptor A26 0.0094 0.2207 0.2453
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0094 0.2207 0.2241
Echinococcus granulosus serotonin receptor 0.0094 0.2207 0.2453
Schistosoma mansoni alpha-1 adrenergic receptor 0.0094 0.2207 0.2207
Brugia malayi follicle stimulating hormone receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni biogenic amine receptor 0.0094 0.2207 0.2207
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0248 0.8998 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Schistosoma mansoni neuropeptide f receptor 76f 0.0094 0.2207 0.2207
Onchocerca volvulus 0.0094 0.2207 0.5
Brugia malayi RE15519p 0.0094 0.2207 0.2453
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0094 0.2207 0.2207
Echinococcus multilocularis hyperpolarization activated cyclic 0.0049 0.0247 0.0274
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Brugia malayi ORL1-like opioid receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis neuropeptide s receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis G-protein coupled receptor, putative 0.0094 0.2207 0.2453
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0049 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0094 0.2207 0.2453
Echinococcus granulosus voltage gated potassium channel 0.0072 0.1249 0.1388
Echinococcus multilocularis sex peptide receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0094 0.2207 0.2453
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus multilocularis g protein coupled receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus sex peptide receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0094 0.2207 0.2453
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.2207 0.2453
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0094 0.2207 0.2207
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0049 0.0247 0.0247
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus multilocularis dro:myosuppressin receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus neuropeptide receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0248 0.8998 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Onchocerca volvulus 0.0094 0.2207 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0072 0.1249 0.1388
Echinococcus granulosus G protein coupled receptor 139 0.0094 0.2207 0.2453
Loa Loa (eye worm) melatonin receptor type 1A 0.0094 0.2207 0.2241
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Brugia malayi Dopamine receptor 0.0094 0.2207 0.2453
Schistosoma mansoni opsin-like receptor 0.0094 0.2207 0.2207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus multilocularis g-protein coupled receptor 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Onchocerca volvulus 0.0094 0.2207 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus g-protein coupled receptor 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine (5HT) receptor 0.0094 0.2207 0.2207
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0094 0.2207 0.2241
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0094 0.2207 0.2207
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni myosin xvIII 0.0094 0.2207 0.2207
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0094 0.2207 0.2207
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0049 0.0247 0.0247
Schistosoma mansoni histamine h1 receptor 0.0094 0.2207 0.2207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Brugia malayi Melatonin receptor type 1A 0.0094 0.2207 0.2453
Onchocerca volvulus 0.0094 0.2207 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0049 0.0247 0.0247
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine receptor 0.0094 0.2207 0.2207
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0094 0.2207 0.5
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Echinococcus multilocularis g protein coupled receptor 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.2207 0.2207
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Echinococcus granulosus hypothetical protein 0.0094 0.2207 0.2453
Schistosoma mansoni growth hormone secretagogue receptor 0.0094 0.2207 0.2207
Schistosoma mansoni neuropeptide receptor 0.0094 0.2207 0.2207
Brugia malayi Cyclic-nucleotide gated cation channel 0.0049 0.0247 0.0274
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0215 0.7557 0.8354
Loa Loa (eye worm) hypothetical protein 0.0072 0.1249 0.1145
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0094 0.2207 0.2453
Echinococcus multilocularis neuropeptide receptor 0.0094 0.2207 0.2453
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Echinococcus granulosus fmrfamide receptor 0.0094 0.2207 0.2453
Brugia malayi Serotonin receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.2207 0.2453
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.2207 0.2207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.2207 0.2207
Echinococcus granulosus neuropeptide Y receptor 0.0094 0.2207 0.2453
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.2207 0.2453
Brugia malayi hypothetical protein 0.0094 0.2207 0.2453
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0094 0.2207 0.2453
Echinococcus granulosus g protein coupled receptor 0.0094 0.2207 0.2453
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0049 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0094 0.2207 0.2241
Schistosoma mansoni hypothetical protein 0.0094 0.2207 0.2207

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3264 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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