Detailed information for compound 1263887

Basic information

Technical information
  • TDR Targets ID: 1263887
  • Name: 1,5-diethyl-3,7-di(hexanoyl)-3,7-diazabicyclo [3.3.1]nonan-9-one
  • MW: 392.575 | Formula: C23H40N2O3
  • H donors: 0 H acceptors: 3 LogP: 3.77 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC12CN(CC(C2=O)(CN(C1)C(=O)CCCCC)CC)C(=O)CCCCC
  • InChi: 1S/C23H40N2O3/c1-5-9-11-13-19(26)24-15-22(7-3)17-25(20(27)14-12-10-6-2)18-23(8-4,16-24)21(22)28/h5-18H2,1-4H3
  • InChiKey: FUWJNTLMCGBHBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,5-diethyl-3,7-bis(1-oxohexyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
  • 3,7-dicaproyl-1,5-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
  • SMR000037862
  • ZINC01821495
  • STOCK3S-02337
  • MLS000078041
  • MLS001073889

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 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
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0163 0.098 0.098
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0084 0.0343 0.1606
Plasmodium falciparum peptide deformylase 0.1291 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0163 0.098 0.098
Schistosoma mansoni neuropeptide receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0197 0.1249 0.4892
Brugia malayi neuropeptide F receptor 0.0084 0.0343 0.1344
Onchocerca volvulus 0.0084 0.0343 1
Brugia malayi AKH receptor 0.0084 0.0343 0.1344
Echinococcus granulosus cytochrome P450 2K1 0.0163 0.098 0.4584
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0084 0.0343 0.1606
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0089 0.0388 0.152
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0343 0.1606
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0163 0.098 0.098
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0063 0.0267
Brugia malayi RE15519p 0.0084 0.0343 0.1344
Echinococcus granulosus somatostatin receptor 0.0084 0.0343 0.1606
Schistosoma mansoni 60S ribosomal protein L21 0.0049 0.0063 0.0267
Echinococcus multilocularis neuropeptides capa receptor 0.0084 0.0343 0.1606
Leishmania major polypeptide deformylase-like protein, putative 0.0493 0.3615 1
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus fmrfamide receptor 0.0084 0.0343 0.1606
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0084 0.0343 0.1344
Loa Loa (eye worm) melatonin receptor type 1A 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis neuropeptide s receptor 0.0084 0.0343 0.1606
Brugia malayi larval opioid receptor 0.0084 0.0343 0.1344
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Schistosoma mansoni neuropeptide receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis g protein coupled receptor 0.0084 0.0343 0.1606
Echinococcus granulosus sex peptide receptor 0.0084 0.0343 0.1606
Schistosoma mansoni amine GPCR 0.0084 0.0343 0.1452
Mycobacterium leprae Conserved hypothetical protein 0.0163 0.098 0.098
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.0388 0.1643
Brugia malayi G protein-coupled receptor F59B2.13 0.0084 0.0343 0.1344
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0163 0.098 0.098
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0084 0.0343 0.1344
Brugia malayi GnHR receptor homolog 0.0084 0.0343 0.1344
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) neuropeptide F receptor 0.0084 0.0343 0.1344
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0084 0.0343 0.1606
Echinococcus multilocularis orexin receptor type 2 0.0084 0.0343 0.1606
Echinococcus multilocularis serotonin receptor 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Echinococcus granulosus neuropeptide s receptor 0.0084 0.0343 0.1606
Brugia malayi Cytochrome P450 family protein 0.0163 0.098 0.3835
Schistosoma mansoni neuropeptide f receptor 76f 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Onchocerca volvulus 0.0084 0.0343 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0163 0.098 0.098
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0061 0.0162 0.0758
Echinococcus granulosus neuropeptide receptor 0.0084 0.0343 0.1606
Echinococcus granulosus voltage gated potassium channel 0.0089 0.0388 0.1816
Loa Loa (eye worm) G-protein coupled receptor 0.0084 0.0343 0.1344
Brugia malayi Cytochrome P450 family protein 0.0163 0.098 0.3835
Schistosoma mansoni alpha-1 adrenergic receptor 0.0084 0.0343 0.1452
Schistosoma mansoni biogenic amine receptor 0.0084 0.0343 0.1452
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0061 0.0162 0.0758
Brugia malayi sulfakinin receptor protein 0.0084 0.0343 0.1344
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0061 0.0162 0.0686
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1291 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1291 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0162 0.0634
Echinococcus multilocularis G protein coupled receptor 139 0.0084 0.0343 0.1606
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0163 0.098 0.098
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi Serotonin receptor 0.0084 0.0343 0.1344
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni adenoreceptor 0.0084 0.0343 0.1452
Echinococcus granulosus neuropeptide Y receptor 0.0084 0.0343 0.1606
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0163 0.098 0.098
Loa Loa (eye worm) cytochrome P450 family protein 0.0163 0.098 0.3835
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni opsin-like receptor 0.0084 0.0343 0.1452
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0163 0.098 0.098
Toxoplasma gondii cytochrome p450 superfamily protein 0.0163 0.098 0.098
Brugia malayi Cytochrome P450 family protein 0.036 0.2554 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0084 0.0343 0.1606
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni biogenic amine receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0267 0.1812 0.7094
Echinococcus granulosus neuropeptide receptor A26 0.0084 0.0343 0.1606
Echinococcus granulosus biogenic amine 5HT receptor 0.0084 0.0343 0.1606
Leishmania major cytochrome p450-like protein 0.0163 0.098 0.271
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0089 0.0388 0.1816
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0084 0.0343 0.1344
Leishmania major cytochrome p450-like protein 0.0163 0.098 0.271
Echinococcus granulosus allatostatin A receptor 0.0084 0.0343 0.1606
Schistosoma mansoni amine GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.0388 0.1643
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0084 0.0343 0.1452
Brugia malayi ORL1-like opioid receptor 0.0084 0.0343 0.1344
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0089 0.0388 0.152
Onchocerca volvulus 0.0084 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0288 0.1975 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0163 0.098 0.098
Echinococcus multilocularis serotonin receptor 0.0084 0.0343 0.1606
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0163 0.098 0.098
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0163 0.098 0.098
Schistosoma mansoni biogenic amine receptor 0.0084 0.0343 0.1452
Brugia malayi putative neuropeptide receptor 0.0084 0.0343 0.1344
Onchocerca volvulus 0.0084 0.0343 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0163 0.098 0.098
Echinococcus multilocularis neuropeptide receptor 0.0084 0.0343 0.1606
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0084 0.0343 0.1606
Brugia malayi G-protein coupled receptor 0.0084 0.0343 0.1344
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0084 0.0343 0.1344
Schistosoma mansoni hypothetical protein 0.0084 0.0343 0.1452
Echinococcus granulosus hyperpolarization activated cyclic 0.0061 0.0162 0.0758
Echinococcus granulosus alpha 1A adrenergic receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0061 0.0162 0.0758
Echinococcus multilocularis g-protein coupled receptor 0.0084 0.0343 0.1606
Echinococcus multilocularis allatostatin A receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) TYRA-2 protein 0.0084 0.0343 0.1344
Echinococcus multilocularis g protein coupled receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis hyperpolarization activated cyclic 0.0061 0.0162 0.0758
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0163 0.098 0.098
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0061 0.0162 0.0634
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni biogenic amine (5HT) receptor 0.0084 0.0343 0.1452
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0163 0.098 0.098
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0084 0.0343 0.1344
Brugia malayi Dopamine receptor protein 1 0.0084 0.0343 0.1344
Schistosoma mansoni voltage-gated potassium channel 0.0336 0.2363 1
Onchocerca volvulus 0.0084 0.0343 1
Echinococcus granulosus orexin receptor type 2 0.0084 0.0343 0.1606
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0061 0.0162 0.082
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Trypanosoma cruzi cytochrome P450, putative 0.036 0.2554 0.7066
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0343 0.1606
Mycobacterium leprae putative cytochrome p450 0.0163 0.098 0.098
Echinococcus multilocularis G-protein coupled receptor, putative 0.0084 0.0343 0.1606
Echinococcus multilocularis neuropeptide Y receptor 0.0084 0.0343 0.1606
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus g-protein coupled receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.0162 0.0686
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0084 0.0343 0.1606
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.0162 0.0686
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0163 0.098 0.098
Echinococcus multilocularis dro:myosuppressin receptor 0.0084 0.0343 0.1606
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0061 0.0162 0.082
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0163 0.098 0.098
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0163 0.098 0.098
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0163 0.098 0.098
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Treponema pallidum polypeptide deformylase (def) 0.1291 1 1
Brugia malayi follicle stimulating hormone receptor 0.0084 0.0343 0.1344
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0084 0.0343 0.1452
Onchocerca volvulus 0.0084 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Onchocerca volvulus 0.0084 0.0343 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0308 0.2137 0.8367
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0163 0.098 0.098
Onchocerca volvulus 0.0084 0.0343 1
Brugia malayi Dopamine receptor 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0163 0.098 0.098
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0061 0.0162 0.0758
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0061 0.0162 0.0758
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0084 0.0343 0.1452
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0084 0.0343 0.1606
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0084 0.0343 0.1344
Schistosoma mansoni voltage-gated potassium channel 0.0336 0.2363 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0163 0.098 0.098
Schistosoma mansoni hypothetical protein 0.0084 0.0343 0.1452
Schistosoma mansoni cytochrome P450 0.0163 0.098 0.4145
Schistosoma mansoni amine GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni voltage-gated potassium channel 0.0061 0.0162 0.0686
Echinococcus multilocularis g protein coupled receptor 0.0084 0.0343 0.1606
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0163 0.098 0.271
Onchocerca volvulus 0.0084 0.0343 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0084 0.0343 0.1452
Brugia malayi G protein-coupled receptor 0.0084 0.0343 0.1344
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0089 0.0388 0.1816
Brugia malayi Cytochrome P450 family protein 0.036 0.2554 1
Brugia malayi G-protein coupled receptor 0.0084 0.0343 0.1344
Echinococcus granulosus g protein coupled receptor 0.0084 0.0343 0.1606
Schistosoma mansoni growth hormone secretagogue receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0308 0.2137 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0493 0.3615 1
Leishmania major cytochrome p450-like protein 0.036 0.2554 0.7066
Echinococcus multilocularis neuropeptide receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis neuropeptide FF receptor 2 0.0084 0.0343 0.1606
Echinococcus granulosus peptide allatostatin:somatostatin 0.0084 0.0343 0.1606
Echinococcus granulosus g protein coupled receptor 0.0084 0.0343 0.1606
Schistosoma mansoni histamine h1 receptor 0.0084 0.0343 0.1452
Schistosoma mansoni hypothetical protein 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0084 0.0343 0.1606
Echinococcus multilocularis 0.0163 0.098 0.4584
Echinococcus granulosus hypothetical protein 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi putative neuropeptide receptor NPR1 0.0084 0.0343 0.1344
Schistosoma mansoni neuropeptide receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0084 0.0343 0.1606
Echinococcus multilocularis hyperpolarization activated cyclic 0.0061 0.0162 0.0758
Plasmodium vivax peptide deformylase, putative 0.1291 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0288 0.1975 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0084 0.0343 0.1606
Echinococcus multilocularis somatostatin receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0163 0.098 0.271
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0493 0.3615 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0163 0.098 0.098
Echinococcus granulosus neuropeptide receptor 0.0084 0.0343 0.1606
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0163 0.098 0.098
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0308 0.2137 1
Schistosoma mansoni neuropeptide F-like receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) cytochrome P450 family protein 0.036 0.2554 1
Mycobacterium ulcerans peptide deformylase 0.1291 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0084 0.0343 0.1606
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0163 0.098 0.098
Schistosoma mansoni opsin-like receptor 0.0084 0.0343 0.1452
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0163 0.098 0.098
Brugia malayi cytochrome P450 0.0163 0.098 0.3835
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0163 0.098 0.098
Echinococcus granulosus serotonin receptor 0.0084 0.0343 0.1606
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0061 0.0162 0.0686
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0084 0.0343 0.1344
Echinococcus multilocularis neuropeptides capa receptor 0.0084 0.0343 0.1606
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Trypanosoma brucei Peptide deformylase 2 0.0493 0.3615 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0084 0.0343 1
Echinococcus granulosus G protein coupled receptor 139 0.0084 0.0343 0.1606
Loa Loa (eye worm) neuropeptide F receptor 0.0084 0.0343 0.1344
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0084 0.0343 0.1452
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1291 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) cytochrome P450 0.0163 0.098 0.3835
Brugia malayi Cyclic-nucleotide gated cation channel 0.0061 0.0162 0.0634
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus neuropeptide Y receptor 0.0084 0.0343 0.1606
Schistosoma mansoni opsin-like receptor 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi neuropeptide F receptor 0.0084 0.0343 0.1344
Onchocerca volvulus 0.0084 0.0343 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.036 0.2554 0.2554
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0084 0.0343 0.1606
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0061 0.0162 0.0758
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis neuropeptide Y receptor 0.0084 0.0343 0.1606
Echinococcus granulosus biogenic amine 5HT receptor 0.0084 0.0343 0.1606
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0084 0.0343 0.1606
Trypanosoma cruzi cytochrome P450, putative 0.036 0.2554 0.7066
Echinococcus granulosus neuropeptides capa receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0308 0.2137 0.8367
Echinococcus granulosus dro:myosuppressin receptor 0.0084 0.0343 0.1606
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) cytochrome P450 family protein 0.036 0.2554 1
Echinococcus multilocularis voltage gated potassium channel 0.0089 0.0388 0.1816
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0163 0.098 0.098
Echinococcus multilocularis fmrfamide receptor 0.0084 0.0343 0.1606
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Trypanosoma brucei Polypeptide deformylase 1 0.0493 0.3615 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0061 0.0162 0.0758
Onchocerca volvulus 0.0084 0.0343 1
Echinococcus multilocularis neuropeptide receptor A26 0.0084 0.0343 0.1606
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.0162 0.0686
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0084 0.0343 0.1606
Loa Loa (eye worm) G-protein coupled receptor 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Brugia malayi Tachykinin-like peptides receptor 99D 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0163 0.098 0.271
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0084 0.0343 0.1344
Schistosoma mansoni myosin xvIII 0.0084 0.0343 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0084 0.0343 0.1606
Echinococcus multilocularis fmrfamide receptor 0.0084 0.0343 0.1606
Brugia malayi Dopamine receptor protein 2 0.0084 0.0343 0.1344
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0084 0.0343 0.1606
Echinococcus granulosus tachykinin peptides receptor 99D 0.0084 0.0343 0.1606
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0163 0.098 0.271
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Echinococcus multilocularis sex peptide receptor 0.0084 0.0343 0.1606
Trypanosoma brucei cytochrome P450, putative 0.036 0.2554 0.7066
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0163 0.098 0.098
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0163 0.098 0.098
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Toxoplasma gondii hypothetical protein 0.1291 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0084 0.0343 1
Brugia malayi Serotonin receptor 0.0084 0.0343 0.1344
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0061 0.0162 0.0634
Trypanosoma cruzi Peptide deformylase 2, putative 0.0493 0.3615 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0163 0.098 0.098
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0493 0.3615 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0163 0.098 0.098
Brugia malayi hypothetical protein 0.0084 0.0343 0.1344
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0163 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0343 0.1344
Schistosoma mansoni neuropeptide F-like receptor 0.0084 0.0343 0.1452
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0163 0.098 0.271
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0084 0.0343 0.1452
Schistosoma mansoni amine GPCR 0.0084 0.0343 0.1452
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Schistosoma mansoni amine GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni biogenic amine (5HT) receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0084 0.0343 0.1606
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0084 0.0343 0.1606
Schistosoma mansoni hypothetical protein 0.0163 0.098 0.4145
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Onchocerca volvulus 0.0084 0.0343 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0163 0.098 0.098
Echinococcus granulosus g protein coupled receptor 0.0084 0.0343 0.1606
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0084 0.0343 0.1452
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0084 0.0343 0.1452
Schistosoma mansoni hypothetical protein 0.0084 0.0343 0.1452
Schistosoma mansoni neuropeptide receptor 0.0084 0.0343 0.1452
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus granulosus hyperpolarization activated cyclic 0.0061 0.0162 0.0758
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0084 0.0343 0.1452
Echinococcus multilocularis rhodopsin orphan GPCR 0.0084 0.0343 0.1606
Echinococcus granulosus 7TM GPCR rhodopsin 0.0084 0.0343 0.1606
Loa Loa (eye worm) CYP4Cod1 0.036 0.2554 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0163 0.098 0.098
Brugia malayi Melatonin receptor type 1A 0.0084 0.0343 0.1344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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

No literature references available for this target.

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