Detailed information for compound 313157

Basic information

Technical information
  • TDR Targets ID: 313157
  • Name: 4-piperidin-1-ylchromen-2-one
  • MW: 229.274 | Formula: C14H15NO2
  • H donors: 0 H acceptors: 1 LogP: 2.6 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(N2CCCCC2)c2c(o1)cccc2
  • InChi: 1S/C14H15NO2/c16-14-10-12(15-8-4-1-5-9-15)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2
  • InChiKey: AZAXRUNIGYYEKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-piperidyl)chromen-2-one
  • 4-(1-piperidyl)-1-benzopyran-2-one
  • 4-piperidinocoumarin
  • 4-(1-piperidyl)-2-chromenone
  • MLS000711082
  • Oprea1_800231
  • ZINC00053303
  • Oprea1_207466
  • EU-0085678
  • 4-Piperidin-1-yl-chromen-2-one
  • BAS 01052429
  • SMR000280849

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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
Loa Loa (eye worm) hypothetical protein 0.0047 0.1108 0.1968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Onchocerca volvulus 0.0072 0.1943 0.3451
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1108 0.7261
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0072 0.1943 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1525 1
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1943 0.1943
Echinococcus granulosus neuropeptide receptor 0.0072 0.1943 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni biogenic amine receptor 0.0072 0.1943 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis fmrfamide receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) G-protein coupled receptor 0.0072 0.1943 0.3451
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1943 0.1943
Brugia malayi Tachykinin-like peptides receptor 99D 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus granulosus neuropeptide receptor A26 0.0072 0.1943 0.1943
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0072 0.1943 0.3451
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0072 0.1943 0.1943
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1943 0.1943
Echinococcus granulosus g protein coupled receptor 0.0072 0.1943 0.1943
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0072 0.1943 0.1943
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1525 0.4569
Schistosoma mansoni histamine h1 receptor 0.0072 0.1943 1
Echinococcus granulosus orexin receptor type 2 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni opsin-like receptor 0.0072 0.1943 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Brugia malayi follicle stimulating hormone receptor 0.0072 0.1943 0.3451
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0072 0.1943 0.3451
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1943 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0072 0.1943 0.1943
Schistosoma mansoni myosin xvIII 0.0072 0.1943 1
Schistosoma mansoni neuropeptide receptor 0.0072 0.1943 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1525 0.7852
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0742 0.0742
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis G protein coupled receptor 139 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0268 0.0839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0268 0.1382
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1525 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0072 0.1943 0.1943
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Brugia malayi neuropeptide F receptor 0.0072 0.1943 0.3451
Schistosoma mansoni opsin-like receptor 0.0072 0.1943 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1943 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Echinococcus multilocularis muscleblind protein 0.0146 0.4425 0.4425
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0268 0.0268
Echinococcus granulosus G protein coupled receptor 139 0.0072 0.1943 0.1943
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1943 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.1108 0.7261
Echinococcus granulosus allatostatin A receptor 0.0072 0.1943 0.1943
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1525 0.7852
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) neuropeptide F receptor 0.0072 0.1943 0.3451
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Echinococcus granulosus neuropeptide receptor 0.0072 0.1943 0.1943
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Echinococcus multilocularis neuropeptide receptor 0.0072 0.1943 0.1943
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0072 0.1943 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1108 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1525 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0268 0.0477
Echinococcus granulosus biogenic amine 5HT receptor 0.0072 0.1943 0.1943
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0072 0.1943 0.1943
Echinococcus granulosus neuropeptide FF receptor 2 0.0072 0.1943 0.1943
Brugia malayi Muscleblind-like protein 0.0146 0.4425 0.7861
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1525 0.1525
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0182 0.5629 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Onchocerca volvulus 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus granulosus neuropeptide s receptor 0.0072 0.1943 0.1943
Giardia lamblia GTOR 0.0022 0.0268 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Entamoeba histolytica hypothetical protein 0.0036 0.0742 0.6703
Schistosoma mansoni neuropeptide receptor 0.0072 0.1943 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0072 0.1943 0.3451
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0072 0.1943 0.3451
Brugia malayi G-protein coupled receptor 0.0072 0.1943 0.3451
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1108 0.3318
Onchocerca volvulus 0.0047 0.1108 0.1968
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis fmrfamide receptor 0.0072 0.1943 0.1943
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0268 0.0268
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1943 0.1943
Echinococcus granulosus sex peptide receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis neuropeptide Y receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1943 0.1943
Onchocerca volvulus 0.0072 0.1943 0.3451
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0647 0.4243
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0268 0.2423
Loa Loa (eye worm) hypothetical protein 0.0035 0.0711 0.1264
Onchocerca volvulus Neuropeptide F receptor homolog 0.0072 0.1943 0.3451
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0711 1
Brugia malayi hypothetical protein 0.0036 0.0742 0.1319
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus granulosus peptide allatostatin:somatostatin 0.0072 0.1943 0.1943
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0072 0.1943 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Entamoeba histolytica hypothetical protein 0.0036 0.0742 0.6703
Schistosoma mansoni biogenic amine (5HT) receptor 0.0072 0.1943 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0072 0.1943 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0072 0.1943 0.1943
Loa Loa (eye worm) melatonin receptor type 1A 0.0072 0.1943 0.3451
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1108 0.3318
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0742 0.3821
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0072 0.1943 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0072 0.1943 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0072 0.1943 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0268 0.0804
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0268 0.0477
Echinococcus multilocularis muscleblind protein 1 0.0146 0.4425 0.4425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0072 0.1943 1
Echinococcus multilocularis sex peptide receptor 0.0072 0.1943 0.1943
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0268 0.0477
Schistosoma mansoni amine GPCR 0.0072 0.1943 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni alpha-1 adrenergic receptor 0.0072 0.1943 1
Schistosoma mansoni hypothetical protein 0.0072 0.1943 1
Brugia malayi neuropeptide F receptor 0.0072 0.1943 0.3451
Loa Loa (eye worm) TYRA-2 protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis neuropeptides capa receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis neuropeptide s receptor 0.0072 0.1943 0.1943
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0268 0.0804
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.1108 0.7261
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0072 0.1943 1
Schistosoma mansoni hypothetical protein 0.0072 0.1943 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Brugia malayi RE15519p 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0035 0.0711 0.1264
Schistosoma mansoni opsin-like receptor 0.0072 0.1943 1
Brugia malayi G-protein coupled receptor 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0072 0.1943 1
Echinococcus granulosus fmrfamide receptor 0.0072 0.1943 0.1943
Onchocerca volvulus 0.0072 0.1943 0.3451
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Leishmania major hypothetical protein, conserved 0.0114 0.3338 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0072 0.1943 0.1943
Brugia malayi AKH receptor 0.0072 0.1943 0.3451
Schistosoma mansoni amine GPCR 0.0072 0.1943 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0072 0.1943 0.1943
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1525 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1525 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0711 0.1264
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0268 0.1759
Echinococcus granulosus neuropeptide Y receptor 0.0072 0.1943 0.1943
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Echinococcus granulosus g protein coupled receptor 0.0072 0.1943 0.1943
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus granulosus tachykinin peptides receptor 99D 0.0072 0.1943 0.1943
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Brugia malayi hypothetical protein 0.0182 0.5629 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0647 0.4243
Echinococcus granulosus alpha 1A adrenergic receptor 0.0072 0.1943 0.1943
Schistosoma mansoni biogenic amine (5HT) receptor 0.0072 0.1943 1
Echinococcus granulosus neuropeptides capa receptor 0.0072 0.1943 0.1943
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.1108 0.7261
Brugia malayi G protein-coupled receptor 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0047 0.1108 0.1968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis g-protein coupled receptor 0.0072 0.1943 0.1943
Schistosoma mansoni amine GPCR 0.0072 0.1943 1
Brugia malayi larval opioid receptor 0.0072 0.1943 0.3451
Schistosoma mansoni amine GPCR 0.0072 0.1943 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis allatostatin A receptor 0.0072 0.1943 0.1943
Brugia malayi sulfakinin receptor protein 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Loa Loa (eye worm) neuropeptide F receptor 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Echinococcus multilocularis neuropeptide receptor A26 0.0072 0.1943 0.1943
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni neuropeptide receptor 0.0072 0.1943 1
Entamoeba histolytica hypothetical protein 0.0036 0.0742 0.6703
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0268 1
Brugia malayi Dopamine receptor 0.0072 0.1943 0.3451
Echinococcus granulosus g protein coupled receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Echinococcus granulosus 7TM GPCR rhodopsin 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni hypothetical protein 0.0072 0.1943 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0072 0.1943 0.1943
Echinococcus multilocularis neuropeptide Y receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Onchocerca volvulus 0.0072 0.1943 0.3451
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0268 0.0804
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.1108 1
Echinococcus granulosus somatostatin receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0146 0.4425 0.7861
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0072 0.1943 0.1943
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni biogenic amine receptor 0.0072 0.1943 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Echinococcus multilocularis dro:myosuppressin receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0072 0.1943 0.3451
Loa Loa (eye worm) G-protein coupled receptor 0.0072 0.1943 0.3451
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0072 0.1943 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0711 0.4662
Onchocerca volvulus 0.0072 0.1943 0.3451
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0072 0.1943 0.3451
Schistosoma mansoni hypothetical protein 0.0036 0.0742 0.3821
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis neuropeptide receptor 0.0072 0.1943 0.1943
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0268 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0072 0.1943 0.1943
Brugia malayi Serotonin receptor 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1108 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1108 0.3318
Echinococcus granulosus g-protein coupled receptor 0.0072 0.1943 0.1943
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0268 0.0268
Echinococcus multilocularis neuropeptides capa receptor 0.0072 0.1943 0.1943
Brugia malayi putative neuropeptide receptor 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Onchocerca volvulus 0.0072 0.1943 0.3451
Schistosoma mansoni biogenic amine receptor 0.0072 0.1943 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1108 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0268 0.0839
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1108 0.1968
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1108 0.7261
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1108 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus granulosus hypothetical protein 0.0072 0.1943 0.1943
Schistosoma mansoni amine GPCR 0.0072 0.1943 1
Brugia malayi ORL1-like opioid receptor 0.0072 0.1943 0.3451
Echinococcus granulosus dro:myosuppressin receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0072 0.1943 0.3451
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1943 0.1943
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1525 0.1525
Onchocerca volvulus 0.0182 0.5629 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.1108 0.7261
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0268 0.0839
Echinococcus multilocularis serotonin receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni hypothetical protein 0.0072 0.1943 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0072 0.1943 0.1943
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.1108 0.7261
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.3198 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1108 0.1968
Entamoeba histolytica hypothetical protein 0.0036 0.0742 0.6703
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0268 0.2423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Brugia malayi putative neuropeptide receptor NPR1 0.0072 0.1943 0.3451
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0647 0.4243
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1943 0.1943
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1108 0.1968
Schistosoma mansoni neuropeptide F-like receptor 0.0072 0.1943 1
Onchocerca volvulus 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Schistosoma mansoni neuropeptide F-like receptor 0.0072 0.1943 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0072 0.1943 0.1943
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0072 0.1943 0.1943
Mycobacterium ulcerans hypothetical protein 0.0047 0.1108 0.7261
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0647 0.4243
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0268 0.0839
Schistosoma mansoni adenoreceptor 0.0072 0.1943 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0742 0.0742
Echinococcus granulosus neuropeptide Y receptor 0.0072 0.1943 0.1943
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1943 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1108 0.1968
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Echinococcus granulosus muscleblind protein 0.0146 0.4425 0.4425
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0268 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0268 0.1382
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1943 0.1943
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1108 0.7261
Loa Loa (eye worm) hypothetical protein 0.0035 0.0711 0.1264
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0268 0.0477
Echinococcus granulosus 7tm_1 domain containing protein 0.0072 0.1943 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.4425 0.7861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0711 0.1264
Echinococcus multilocularis somatostatin receptor 0.0072 0.1943 0.1943
Echinococcus multilocularis serotonin receptor 0.0072 0.1943 0.1943
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0268 0.0804
Onchocerca volvulus 0.0072 0.1943 0.3451
Brugia malayi hypothetical protein 0.0072 0.1943 0.3451
Brugia malayi GnHR receptor homolog 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.1108 0.7261
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Schistosoma mansoni neuropeptide receptor 0.0072 0.1943 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0268 0.0268
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0072 0.1943 1
Echinococcus granulosus serotonin receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Brugia malayi Dopamine receptor protein 2 0.0072 0.1943 0.3451
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0072 0.1943 0.3451
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0268 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Brugia malayi Melatonin receptor type 1A 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0268 0.0839
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0711 0.4662
Echinococcus multilocularis orexin receptor type 2 0.0072 0.1943 0.1943
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Brugia malayi Serotonin receptor 0.0072 0.1943 0.3451
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0072 0.1943 0.3451
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0711 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0268 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1943 0.1943
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0268 0.0804
Brugia malayi Dopamine receptor protein 1 0.0072 0.1943 0.3451
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0711 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0072 0.1943 0.3451
Echinococcus granulosus neuropeptides capa receptor 0.0072 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0072 0.1943 0.3451

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.81 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870
IC50 (binding) = 8.81 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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