Detailed information for compound 1373313

Basic information

Technical information
  • TDR Targets ID: 1373313
  • Name: 4,6-dimethyl-2-oxo-1-prop-2-enylpyridine-3-ca rbonitrile
  • MW: 188.226 | Formula: C11H12N2O
  • H donors: 0 H acceptors: 2 LogP: 1.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(C)cc(c(c1=O)C#N)C
  • InChi: 1S/C11H12N2O/c1-4-5-13-9(3)6-8(2)10(7-12)11(13)14/h4,6H,1,5H2,2-3H3
  • InChiKey: HKAGKBWOPMRCET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-allyl-4,6-dimethyl-2-oxo-pyridine-3-carbonitrile
  • 1-allyl-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile
  • 1-allyl-2-keto-4,6-dimethyl-nicotinonitrile
  • 4,6-dimethyl-2-oxo-1-prop-2-enyl-pyridine-3-carbonitrile
  • 1-allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
  • MLS000547017
  • SMR000180215
  • 7T-0091
  • ZINC01399370

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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 glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Echinococcus granulosus tachykinin peptides receptor 99D 0.0013 0.004 0.004
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1182 0.1182
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0043 0.0623 0.0623
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0013 0.004 0.004
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1182 0.1182
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis neuropeptide Y receptor 0.0013 0.004 0.004
Brugia malayi Animal haem peroxidase family protein 0.022 0.4096 0.9778
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0043 0.0623 0.0586
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0161 0.0161
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis g protein coupled receptor 0.0013 0.004 0.004
Brugia malayi hypothetical protein 0.002 0.0174 0.0324
Echinococcus multilocularis dro:myosuppressin receptor 0.0013 0.004 0.004
Echinococcus granulosus neuropeptide Y receptor 0.0013 0.004 0.004
Echinococcus multilocularis g-protein coupled receptor 0.0013 0.004 0.004
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.004 0.004
Echinococcus granulosus neuropeptide receptor 0.0013 0.004 0.004
Echinococcus multilocularis somatostatin receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) TYRA-2 protein 0.0013 0.004 0.0095
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.002 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Onchocerca volvulus 0.0035 0.047 0.106
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0043 0.0623 0.1407
Echinococcus granulosus serotonin receptor 0.0013 0.004 0.004
Brugia malayi Animal haem peroxidase family protein 0.022 0.4096 0.9778
Echinococcus granulosus lipoxygenase domain containing protein 0.0087 0.1497 0.1497
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.002 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Loa Loa (eye worm) doublecortin family protein 0.0087 0.1497 0.3573
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0013 0.004 0.004
Echinococcus multilocularis nAChR subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0043 0.0623 0.1488
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.002 0.0174 0.0324
Loa Loa (eye worm) melatonin receptor type 1A 0.0013 0.004 0.0095
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0013 0.004 0.004
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Onchocerca volvulus Peroxidasin homolog 0.022 0.4096 1
Leishmania major hypothetical protein, conserved 0.0019 0.0161 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus biogenic amine 5HT receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0043 0.0623 0.1407
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0384
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0043 0.0623 0.1407
Loa Loa (eye worm) neuropeptide F receptor 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis nAChR subunit 0.0023 0.0239 0.0239
Loa Loa (eye worm) animal heme peroxidase 0.022 0.4096 0.978
Echinococcus granulosus cpg binding protein 0.0037 0.0508 0.0508
Brugia malayi hypothetical protein 0.022 0.4096 0.9778
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0023 0.0239 0.048
Onchocerca volvulus 0.002 0.0174 0.0332
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Brugia malayi jmjC domain containing protein 0.0073 0.1221 0.2847
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0161 0.0384
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0013 0.004 0.004
Brugia malayi Cation transporter family protein 0.0043 0.0623 0.1407
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Brugia malayi hypothetical protein 0.002 0.0174 0.0324
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0043 0.0623 0.1407
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0013 0.004 0.004
Echinococcus granulosus phd:f box containing protein 0.0019 0.0161 0.0161
Brugia malayi jmjC domain containing protein 0.0019 0.0161 0.0292
Schistosoma mansoni neurotransmitter gated ion channel 0.002 0.0174 0.0135
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1232 0.1197
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0013 0.004 0.0095
Onchocerca volvulus Putative nachr subunit 0.0043 0.0623 0.1439
Brugia malayi Doublecortin family protein 0.0087 0.1497 0.3512
Onchocerca volvulus 0.0023 0.0239 0.0491
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0043 0.0623 0.0623
Schistosoma mansoni hypothetical protein 0.0087 0.1497 0.1463
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus G protein coupled receptor 139 0.0013 0.004 0.004
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0161 0.0384
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.047 0.1121
Echinococcus granulosus dro:myosuppressin receptor 0.0013 0.004 0.004
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.002 0.0174 0.0416
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0174 0.0324
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Echinococcus multilocularis Polycystic kidney disease protein 0.0087 0.1497 0.1497
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Brugia malayi jmjC domain containing protein 0.0019 0.0161 0.0292
Onchocerca volvulus Dual oxidase homolog 0.022 0.4096 1
Brugia malayi Animal haem peroxidase family protein 0.022 0.4096 0.9778
Loa Loa (eye worm) GABA receptor subunit 0.0023 0.0239 0.057
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.0239 0.048
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Onchocerca volvulus 0.022 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus g-protein coupled receptor 0.0013 0.004 0.004
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Onchocerca volvulus Peroxidase homolog 0.022 0.4096 1
Echinococcus multilocularis RUN 0.0087 0.1497 0.1497
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Echinococcus granulosus glycine receptor subunit beta 0.0043 0.0623 0.0623
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis lipoxygenase domain containing protein 0.0087 0.1497 0.1497
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0161 0.0161
Echinococcus multilocularis neuropeptides capa receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Schistosoma mansoni neurotransmitter gated ion channel 0.0023 0.0239 0.02
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Onchocerca volvulus 0.0043 0.0623 0.1439
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.02 0.02
Schistosoma mansoni nAChR subunit 0.002 0.0174 0.0135
Loa Loa (eye worm) acetylcholine receptor protein 0.002 0.0174 0.0416
Brugia malayi jmjC domain containing protein 0.0071 0.1182 0.2753
Echinococcus granulosus peptide allatostatin:somatostatin 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1221 0.1186
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0013 0.004 0.0095
Echinococcus multilocularis orexin receptor type 2 0.0013 0.004 0.004
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0161 0.5
Onchocerca volvulus Peroxidasin homolog 0.022 0.4096 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0043 0.0623 0.1407
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0013 0.004 0.0095
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0521 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0043 0.0623 0.1407
Onchocerca volvulus 0.002 0.0174 0.0332
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis g protein coupled receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Echinococcus multilocularis neuropeptide receptor 0.0013 0.004 0.004
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0013 0.004 0.004
Echinococcus granulosus peroxidasin 0.022 0.4096 0.4096
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0161 0.0122
Echinococcus granulosus dnaJ subfamily B 0.0494 0.9472 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0013 0.004 0.004
Onchocerca volvulus 0.002 0.0174 0.0332
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.002 0.0174 0.0174
Onchocerca volvulus 0.0043 0.0623 0.1439
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.004 0.004
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.002 0.0174 0.0324
Brugia malayi hypothetical protein 0.002 0.0174 0.0324
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0161 0.0161
Onchocerca volvulus Chorion peroxidase homolog 0.022 0.4096 1
Schistosoma mansoni cpg binding protein 0.0035 0.047 0.0432
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1182 0.1147
Loa Loa (eye worm) hypothetical protein 0.0224 0.4189 1
Echinococcus granulosus fmrfamide receptor 0.0013 0.004 0.004
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0161 0.0161
Brugia malayi Cation transporter family protein 0.0043 0.0623 0.1407
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Onchocerca volvulus 0.022 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1221 0.2914
Schistosoma mansoni acetylcholine receptor subunit beta 0.002 0.0174 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) blistered cuticle protein 3 0.022 0.4096 0.978
Loa Loa (eye worm) hypothetical protein 0.0087 0.1497 0.3573
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0013 0.004 0.0095
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Echinococcus granulosus allatostatin A receptor 0.0013 0.004 0.004
Echinococcus multilocularis neuropeptide receptor 0.0013 0.004 0.004
Echinococcus granulosus neuropeptides capa receptor 0.0013 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis serotonin receptor 0.0013 0.004 0.004
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Echinococcus granulosus somatostatin receptor 0.0013 0.004 0.004
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0043 0.0623 0.1407
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0043 0.0623 0.0623
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.004 0.004
Schistosoma mansoni polycystin 1-related 0.0087 0.1497 0.1463
Echinococcus multilocularis G-protein coupled receptor, putative 0.0013 0.004 0.004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1182 0.1182
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Plasmodium vivax multidomain scavenger receptor, putative 0.0087 0.1497 1
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0161 0.0122
Brugia malayi hypothetical protein 0.002 0.0174 0.0324
Brugia malayi hypothetical protein 0.0087 0.1497 0.3512
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0161 0.5
Onchocerca volvulus Peroxidase homolog 0.022 0.4096 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0043 0.0623 0.0623
Echinococcus multilocularis glycine receptor subunit beta 0.0043 0.0623 0.0623
Echinococcus multilocularis neuropeptides capa receptor 0.0013 0.004 0.004
Echinococcus multilocularis serotonin receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Onchocerca volvulus 0.0043 0.0623 0.1439
Echinococcus granulosus glycine receptor subunit beta 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0224 0.4189 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0013 0.004 0.004
Echinococcus granulosus nAChR subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) animal heme peroxidase 0.022 0.4096 0.978
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0043 0.0623 0.0623
Schistosoma mansoni rab6-interacting 0.0087 0.1497 0.1463
Loa Loa (eye worm) neuropeptide F receptor 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus nAChR subunit 0.0023 0.0239 0.0239
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0161 0.0122
Schistosoma mansoni acetylcholine receptor-related 0.002 0.0174 0.0135
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis fmrfamide receptor 0.0013 0.004 0.004
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0023 0.0239 0.02
Entamoeba histolytica hypothetical protein 0.0023 0.0239 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0384
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.002 0.0174 0.0416
Echinococcus granulosus neuropeptides capa receptor 0.0013 0.004 0.004
Echinococcus multilocularis fmrfamide receptor 0.0013 0.004 0.004
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0043 0.0623 0.0623
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0043 0.0623 0.0586
Brugia malayi Peroxidasin 0.022 0.4096 0.9778
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Schistosoma mansoni peroxidasin 0.022 0.4096 0.4073
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0239 0.02
Echinococcus multilocularis neuropeptide receptor A26 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Schistosoma mansoni peroxidasin 0.022 0.4096 0.4073
Echinococcus granulosus hypothetical protein 0.0013 0.004 0.004
Plasmodium falciparum LCCL domain-containing protein 0.0087 0.1497 1
Onchocerca volvulus 0.0043 0.0623 0.1439
Echinococcus granulosus 7tm_1 domain containing protein 0.0013 0.004 0.004
Brugia malayi Animal haem peroxidase family protein 0.022 0.4096 0.9778
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0013 0.004 0.004
Echinococcus multilocularis cpg binding protein 0.0037 0.0508 0.0508
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Echinococcus granulosus neuropeptide s receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Echinococcus granulosus Polycystic kidney disease protein 0.0087 0.1497 0.1497
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Schistosoma mansoni rab6-interacting 0.0087 0.1497 0.1463
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis allatostatin A receptor 0.0013 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0013 0.004 0.004
Echinococcus granulosus orexin receptor type 2 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) LGC-31 protein 0.0043 0.0623 0.1488
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus granulosus neuropeptide Y receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis g protein coupled receptor 0.0013 0.004 0.004
Schistosoma mansoni nAChR subunit 0.002 0.0174 0.0135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1221 0.1186
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Brugia malayi hypothetical protein 0.0087 0.1497 0.3512
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0239 0.048
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) ACC-1 protein 0.0043 0.0623 0.1488
Schistosoma mansoni cpg binding protein 0.0037 0.0508 0.047
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.1221 0.1221
Echinococcus granulosus glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0384
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) G-protein coupled receptor 0.0013 0.004 0.0095
Onchocerca volvulus 0.0043 0.0623 0.1439
Brugia malayi Blistered cuticle protein 3 0.022 0.4096 0.9778
Schistosoma mansoni cpg binding protein 0.0037 0.0508 0.047
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0013 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0494 0.9472 0.947
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Brugia malayi excitatory GABA receptor EXP-1A 0.0043 0.0623 0.1407
Schistosoma mansoni nAChR subunit 0.0043 0.0623 0.0586
Brugia malayi Cation transporter family protein 0.0043 0.0623 0.1407
Echinococcus granulosus RUN 0.0087 0.1497 0.1497
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0043 0.0623 0.1407
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0239 0.048
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.9472 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.004 0.004
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Loa Loa (eye worm) hypothetical protein 0.0205 0.3804 0.9082
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0161 0.0122
Brugia malayi jmjC domain containing protein 0.0019 0.0161 0.0292
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis glycine receptor subunit beta 0.0043 0.0623 0.0623
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0043 0.0623 0.0586
Onchocerca volvulus 0.0023 0.0239 0.0491
Echinococcus multilocularis peroxidasin 0.022 0.4096 0.4096
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0161 0.0122
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Loa Loa (eye worm) hypothetical protein 0.0087 0.1497 0.3573
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0161 0.0384
Echinococcus granulosus g protein coupled receptor 0.0013 0.004 0.004
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0013 0.004 0.004
Echinococcus granulosus g protein coupled receptor 0.0013 0.004 0.004
Echinococcus granulosus sex peptide receptor 0.0013 0.004 0.004
Echinococcus granulosus 7TM GPCR rhodopsin 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0161 0.0161
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0043 0.0623 0.0623
Schistosoma mansoni lipoxygenase 0.0521 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus granulosus lipoxygenase domain containing protein 0.0087 0.1497 0.1497
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0043 0.0623 0.0586
Brugia malayi hypothetical protein 0.002 0.0174 0.0324
Echinococcus multilocularis G protein coupled receptor 139 0.0013 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0043 0.0623 0.1407
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.002 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Loa Loa (eye worm) G-protein coupled receptor 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus neuropeptide receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.004 0.004
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0013 0.004 0.004
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.002 0.0174 0.0174
Echinococcus multilocularis neuropeptide s receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Schistosoma mansoni neurotransmitter gated ion channel 0.002 0.0174 0.0135
Onchocerca volvulus 0.0087 0.1497 0.3591
Echinococcus granulosus biogenic amine 5HT receptor 0.0013 0.004 0.004
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1078 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0043 0.0623 0.0623
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.02 0.02
Loa Loa (eye worm) animal heme peroxidase 0.022 0.4096 0.978
Schistosoma mansoni lipoxygenase 0.0364 0.6928 0.6915
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0043 0.0623 0.0586
Loa Loa (eye worm) hypothetical protein 0.002 0.0174 0.0416
Onchocerca volvulus 0.022 0.4096 1
Echinococcus multilocularis sex peptide receptor 0.0013 0.004 0.004
Echinococcus multilocularis neuropeptide FF receptor 2 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.004 0.004
Loa Loa (eye worm) animal heme peroxidase 0.022 0.4096 0.978
Echinococcus multilocularis lipoxygenase domain containing protein 0.0087 0.1497 0.1497
Schistosoma mansoni loxhd1 0.0087 0.1497 0.1463
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) ACC-1 protein 0.0043 0.0623 0.1488
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.004 0.004
Brugia malayi CXXC zinc finger family protein 0.0035 0.047 0.1036
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0043 0.0623 0.1488
Echinococcus granulosus neuropeptide receptor A26 0.0013 0.004 0.004
Echinococcus granulosus glycine receptor subunit alpha 1 0.0043 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0043 0.0623 0.0586
Echinococcus multilocularis neuropeptide Y receptor 0.0013 0.004 0.004
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.002 0.0174 0.0324
Brugia malayi Animal haem peroxidase family protein 0.022 0.4096 0.9778
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0161 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0043 0.0623 0.0623
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0174 0.0324
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.0623 0.1407
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0161 0.0161
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0013 0.004 0.0095
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0623 0.1488
Loa Loa (eye worm) hypothetical protein 0.0023 0.0239 0.057
Onchocerca volvulus 0.0043 0.0623 0.1439
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0174 0.0324
Onchocerca volvulus 0.0087 0.1497 0.3591
Echinococcus granulosus g protein coupled receptor 0.0013 0.004 0.004
Echinococcus granulosus neuropeptide FF receptor 2 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.022 0.4096 0.978
Brugia malayi jmjC domain containing protein 0.0019 0.0161 0.0292

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0928 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) 0.8275 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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