Detailed information for compound 1338831

Basic information

Technical information
  • TDR Targets ID: 1338831
  • Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)pi perazin-1-yl]propanoylamino]-6-methoxy-1H-ind ole-2-carboxylate
  • MW: 494.54 | Formula: C26H30N4O6
  • H donors: 2 H acceptors: 2 LogP: 3.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccc3c(c1)OCO3)ccc(c2)OC
  • InChi: 1S/C26H30N4O6/c1-33-18-4-5-19-20(14-18)27-25(26(32)34-2)24(19)28-23(31)7-8-29-9-11-30(12-10-29)15-17-3-6-21-22(13-17)36-16-35-21/h3-6,13-14,27H,7-12,15-16H2,1-2H3,(H,28,31)
  • InChiKey: WXGGCLKFICWVAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester
  • 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester
  • STOCK4S-17936
  • SMR000043618
  • MLS000040363

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Schistosoma mansoni hypothetical protein 0.0192 0.6257 0.8931
Echinococcus granulosus allatostatin A receptor 0.0192 0.6257 0.8931
Brugia malayi putative neuropeptide receptor NPR1 0.0192 0.6257 0.7267
Brugia malayi putative neuropeptide receptor 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis fmrfamide receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis somatostatin receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus neuropeptide receptor A26 0.0192 0.6257 0.8931
Echinococcus multilocularis serotonin receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus granulosus g protein coupled receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptide s receptor 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0192 0.6257 0.8931
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0192 0.6257 0.8931
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus carboxylesterase 5A 0.0211 0.7007 1
Toxoplasma gondii PAN domain-containing protein 0.0198 0.646 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0192 0.6257 0.8931
Brugia malayi Dopamine receptor protein 1 0.0192 0.6257 0.7267
Loa Loa (eye worm) carboxylesterase 0.0211 0.7007 0.8137
Brugia malayi larval opioid receptor 0.0192 0.6257 0.7267
Brugia malayi Serotonin receptor 0.0192 0.6257 0.7267
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Onchocerca volvulus 0.0192 0.6257 0.6257
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0192 0.6257 0.7267
Plasmodium vivax SET domain protein, putative 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0211 0.7007 0.8137
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0148 0.4476 0.5198
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni opsin-like receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis sex peptide receptor 0.0192 0.6257 0.8931
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni neuropeptide F-like receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus granulosus tm gpcr rhodopsin 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi G protein-coupled receptor 0.0192 0.6257 0.7267
Loa Loa (eye worm) G-protein coupled receptor 0.0192 0.6257 0.7267
Brugia malayi G protein-coupled receptor F59B2.13 0.0192 0.6257 0.7267
Brugia malayi G-protein coupled receptor 0.0192 0.6257 0.7267
Schistosoma mansoni neuropeptide F-like receptor 0.0192 0.6257 0.8931
Echinococcus granulosus neuropeptides capa receptor 0.0192 0.6257 0.8931
Echinococcus granulosus sex peptide receptor 0.0192 0.6257 0.8931
Schistosoma mansoni amine GPCR 0.0192 0.6257 0.8931
Onchocerca volvulus Huntingtin homolog 0.0148 0.4476 0.4476
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0192 0.6257 0.8931
Schistosoma mansoni neuropeptide receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus granulosus tm gpcr rhodopsin 0.0192 0.6257 0.8931
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus orexin receptor type 2 0.0192 0.6257 0.8931
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0192 0.6257 0.6257
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni alpha-1 adrenergic receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptide receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptide receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis acetylcholinesterase 0.0211 0.7007 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0192 0.6257 0.8931
Echinococcus granulosus 7tm_1 domain containing protein 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine (5HT) receptor 0.0192 0.6257 0.8931
Echinococcus granulosus neuropeptide Y receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Onchocerca volvulus Neuropeptide F receptor homolog 0.0192 0.6257 0.6257
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus neuropeptide Y receptor 0.0192 0.6257 0.8931
Echinococcus granulosus G protein coupled receptor 139 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine receptor 0.0192 0.6257 0.8931
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0192 0.6257 0.7267
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi Dopamine receptor protein 2 0.0192 0.6257 0.7267
Onchocerca volvulus 0.0192 0.6257 0.6257
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0211 0.7007 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni amine GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus biogenic amine 5HT receptor 0.0192 0.6257 0.8931
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni opsin-like receptor 0.0192 0.6257 0.8931
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus hypothetical protein 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi Dopamine receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis acetylcholinesterase 0.0211 0.7007 1
Echinococcus multilocularis G protein coupled receptor 139 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis allatostatin A receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0192 0.6257 0.8931
Brugia malayi Pre-SET motif family protein 0.0251 0.8611 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis neuropeptide receptor A26 0.0192 0.6257 0.8931
Echinococcus granulosus neuropeptide receptor 0.0192 0.6257 0.8931
Toxoplasma gondii PAN domain-containing protein 0.0198 0.646 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi neuropeptide F receptor 0.0192 0.6257 0.7267
Echinococcus granulosus neuropeptide FF receptor 2 0.0192 0.6257 0.8931
Echinococcus granulosus tm gpcr rhodopsin 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi sulfakinin receptor protein 0.0192 0.6257 0.7267
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptides capa receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis G-protein coupled receptor, putative 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus 7TM GPCR rhodopsin 0.0192 0.6257 0.8931
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus multilocularis fmrfamide receptor 0.0192 0.6257 0.8931
Schistosoma mansoni hypothetical protein 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni hypothetical protein 0.0192 0.6257 0.8931
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0192 0.6257 0.8931
Brugia malayi RE15519p 0.0192 0.6257 0.7267
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0192 0.6257 0.7267
Schistosoma mansoni biogenic amine (5HT) receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus g protein coupled receptor 0.0192 0.6257 0.8931
Echinococcus granulosus g-protein coupled receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Echinococcus multilocularis serotonin receptor 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis g protein coupled receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptides capa receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0148 0.4476 0.5198
Schistosoma mansoni amine GPCR 0.0192 0.6257 0.8931
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Loa Loa (eye worm) G-protein coupled receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis neuropeptide Y receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis neuropeptide FF receptor 2 0.0192 0.6257 0.8931
Onchocerca volvulus Huntingtin homolog 0.0148 0.4476 0.4476
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus multilocularis dro:myosuppressin receptor 0.0192 0.6257 0.8931
Echinococcus granulosus tachykinin peptides receptor 99D 0.0192 0.6257 0.8931
Echinococcus multilocularis rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Echinococcus granulosus neuropeptides capa receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi Melatonin receptor type 1A 0.0192 0.6257 0.7267
Schistosoma mansoni biogenic amine receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8611 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0192 0.6257 0.8931
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0192 0.6257 0.8931
Brugia malayi follicle stimulating hormone receptor 0.0192 0.6257 0.7267
Brugia malayi G-protein coupled receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis carboxylesterase 5A 0.0211 0.7007 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0192 0.6257 0.7267
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi Tachykinin-like peptides receptor 99D 0.0192 0.6257 0.7267
Brugia malayi Carboxylesterase family protein 0.0211 0.7007 0.8137
Brugia malayi ORL1-like opioid receptor 0.0192 0.6257 0.7267
Schistosoma mansoni amine GPCR 0.0192 0.6257 0.8931
Brugia malayi AKH receptor 0.0192 0.6257 0.7267
Echinococcus granulosus rhodopsin orphan GPCR 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus acetylcholinesterase 0.0211 0.7007 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus biogenic amine 5HT receptor 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0192 0.6257 0.8931
Schistosoma mansoni neuropeptide receptor 0.0192 0.6257 0.8931
Schistosoma mansoni growth hormone secretagogue receptor 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus multilocularis neuropeptide Y receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus granulosus neuropeptide receptor 0.0192 0.6257 0.8931
Schistosoma mansoni myosin xvIII 0.0192 0.6257 0.8931
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0192 0.6257 0.8931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi GnHR receptor homolog 0.0192 0.6257 0.7267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni opsin-like receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Onchocerca volvulus 0.0192 0.6257 0.6257
Loa Loa (eye worm) TYRA-2 protein 0.0192 0.6257 0.7267
Echinococcus granulosus fmrfamide receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis g protein coupled receptor 0.0192 0.6257 0.8931
Echinococcus granulosus peptide allatostatin:somatostatin 0.0192 0.6257 0.8931
Loa Loa (eye worm) acetylcholinesterase 1 0.0211 0.7007 0.8137
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0192 0.6257 0.8931
Echinococcus multilocularis g-protein coupled receptor 0.0192 0.6257 0.8931
Onchocerca volvulus 0.0192 0.6257 0.6257
Echinococcus granulosus g protein coupled receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni adenoreceptor 0.0192 0.6257 0.8931
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0192 0.6257 0.8931
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) neuropeptide F receptor 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0192 0.6257 0.8931
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0192 0.6257 0.7267
Echinococcus granulosus serotonin receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0192 0.6257 0.7267
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0192 0.6257 0.7267
Echinococcus granulosus neuropeptide s receptor 0.0192 0.6257 0.8931
Schistosoma mansoni hypothetical protein 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) hypothetical protein 0.0211 0.7007 0.8137
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Echinococcus granulosus dro:myosuppressin receptor 0.0192 0.6257 0.8931
Brugia malayi Serotonin receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis orexin receptor type 2 0.0192 0.6257 0.8931
Schistosoma mansoni amine GPCR 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0192 0.6257 0.8931
Schistosoma mansoni neuropeptide receptor 0.0192 0.6257 0.8931
Brugia malayi hypothetical protein 0.0192 0.6257 0.7267
Loa Loa (eye worm) neuropeptide F receptor 0.0192 0.6257 0.7267
Brugia malayi Carboxylesterase family protein 0.0211 0.7007 0.8137
Schistosoma mansoni histamine h1 receptor 0.0192 0.6257 0.8931
Loa Loa (eye worm) hypothetical protein 0.0192 0.6257 0.7267
Onchocerca volvulus 0.0192 0.6257 0.6257
Loa Loa (eye worm) hypothetical protein 0.0148 0.4476 0.5198
Echinococcus granulosus alpha 1A adrenergic receptor 0.0192 0.6257 0.8931
Schistosoma mansoni biogenic amine receptor 0.0192 0.6257 0.8931
Echinococcus granulosus acetylcholinesterase 0.0211 0.7007 1
Onchocerca volvulus 0.0192 0.6257 0.6257
Brugia malayi neuropeptide F receptor 0.0192 0.6257 0.7267
Echinococcus multilocularis g protein coupled receptor 0.0192 0.6257 0.8931
Schistosoma mansoni neuropeptide receptor 0.0192 0.6257 0.8931
Echinococcus granulosus somatostatin receptor 0.0192 0.6257 0.8931

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 13.1154 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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