Detailed information for compound 104438

Basic information

Technical information
  • TDR Targets ID: 104438
  • Name: 6-[(2-nitroimidazol-1-yl)methyl]-1H-pyrimidin e-2,4-dione
  • MW: 237.172 | Formula: C8H7N5O4
  • H donors: 2 H acceptors: 7 LogP: 0.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(O)nc(c1)Cn1ccnc1[N+](=O)[O-]
  • InChi: 1S/C8H7N5O4/c14-6-3-5(10-7(15)11-6)4-12-2-1-9-8(12)13(16)17/h1-3H,4H2,(H2,10,11,14,15)
  • InChiKey: FSZYEFJUJVRQAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(2-nitro-1-imidazolyl)methyl]-1H-pyrimidine-2,4-dione
  • 6-[(2-nitroimidazol-1-yl)methyl]uracil

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thymidine phosphorylase Starlite/ChEMBL References
Escherichia coli thymidine phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium ulcerans thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) Get druggable targets OG5_131632 All targets in OG5_131632
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
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2753 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Brugia malayi Dopamine receptor protein 2 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0456 0.2912 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus tm gpcr rhodopsin 0.0456 0.2912 0.2912
Brugia malayi hypothetical protein 0.0456 0.2912 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0456 0.2912 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0456 0.2912 0.2912
Brugia malayi G protein-coupled receptor 0.0456 0.2912 1
Echinococcus multilocularis fmrfamide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni myosin xvIII 0.0456 0.2912 1
Schistosoma mansoni amine GPCR 0.0456 0.2912 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0456 0.2912 0.2912
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni adenoreceptor 0.0456 0.2912 1
Schistosoma mansoni neuropeptide receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0456 0.2912 0.2912
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.0396 0.1359
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0456 0.2912 1
Echinococcus multilocularis allatostatin A receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis serotonin receptor 0.0456 0.2912 0.2912
Echinococcus granulosus tachykinin peptides receptor 99D 0.0456 0.2912 0.2912
Brugia malayi larval opioid receptor 0.0456 0.2912 1
Echinococcus granulosus neuropeptide receptor A26 0.0456 0.2912 0.2912
Schistosoma mansoni amine GPCR 0.0456 0.2912 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0456 0.2912 0.2912
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus granulosus tm gpcr rhodopsin 0.0456 0.2912 0.2912
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0022 0.0045 0.0156
Onchocerca volvulus 0.0456 0.2912 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0456 0.2912 0.2912
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Echinococcus multilocularis neuropeptide receptor A26 0.0456 0.2912 0.2912
Brugia malayi GnHR receptor homolog 0.0456 0.2912 1
Echinococcus multilocularis neuropeptide Y receptor 0.0456 0.2912 0.2912
Echinococcus granulosus g-protein coupled receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis somatostatin receptor 0.0456 0.2912 0.2912
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0456 0.2912 1
Schistosoma mansoni neuropeptide F-like receptor 0.0456 0.2912 1
Brugia malayi neuropeptide F receptor 0.0456 0.2912 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0363 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus serotonin receptor 0.0456 0.2912 0.2912
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0456 0.2912 0.2912
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0456 0.2912 0.2912
Echinococcus granulosus hypothetical protein 0.0456 0.2912 0.2912
Echinococcus multilocularis neuropeptide receptor 0.0456 0.2912 0.2912
Brugia malayi putative neuropeptide receptor 0.0456 0.2912 1
Echinococcus granulosus neuropeptides capa receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis g protein coupled receptor 0.0456 0.2912 0.2912
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0456 0.2912 1
Echinococcus granulosus allatostatin A receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0456 0.2912 0.5
Echinococcus granulosus sex peptide receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis orexin receptor type 2 0.0456 0.2912 0.2912
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus G protein coupled receptor 139 0.0456 0.2912 0.2912
Echinococcus multilocularis g-protein coupled receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0456 0.2912 0.2912
Echinococcus granulosus biogenic amine 5HT receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0456 0.2912 1
Echinococcus granulosus neuropeptides capa receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0065 0.0331 0.1135
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0456 0.2912 1
Mycobacterium ulcerans thymidine phosphorylase 0.1531 1 1
Schistosoma mansoni amine GPCR 0.0456 0.2912 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus neuropeptide Y receptor 0.0456 0.2912 0.2912
Echinococcus granulosus neuropeptide Y receptor 0.0456 0.2912 0.2912
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0456 0.2912 1
Schistosoma mansoni neuropeptide receptor 0.0456 0.2912 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0456 0.2912 1
Echinococcus multilocularis G protein coupled receptor 139 0.0456 0.2912 0.2912
Brugia malayi G-protein coupled receptor 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0456 0.2912 0.2912
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0045 0.0045
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi Dopamine receptor protein 1 0.0456 0.2912 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0456 0.2912 1
Echinococcus granulosus g protein coupled receptor 0.0456 0.2912 0.2912
Schistosoma mansoni biogenic amine receptor 0.0456 0.2912 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0456 0.2912 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0456 0.2912 1
Echinococcus granulosus g protein coupled receptor 0.0456 0.2912 0.2912
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0456 0.2912 0.2912
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0045 0.0156
Loa Loa (eye worm) neuropeptide F receptor 0.0456 0.2912 1
Schistosoma mansoni histamine h1 receptor 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Brugia malayi follicle stimulating hormone receptor 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis neuropeptides capa receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi AKH receptor 0.0456 0.2912 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0045 0.0045
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0456 0.2912 0.2912
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0045 0.0045
Echinococcus multilocularis serotonin receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis neuropeptides capa receptor 0.0456 0.2912 0.2912
Schistosoma mansoni biogenic amine receptor 0.0456 0.2912 1
Brugia malayi putative neuropeptide receptor NPR1 0.0456 0.2912 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Schistosoma mansoni opsin-like receptor 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Onchocerca volvulus 0.0456 0.2912 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus granulosus g protein coupled receptor 0.0456 0.2912 0.2912
Brugia malayi Serotonin receptor 0.0456 0.2912 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0456 0.2912 0.2912
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0441 0.1515
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0456 0.2912 1
Brugia malayi ORL1-like opioid receptor 0.0456 0.2912 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni opsin-like receptor 0.0456 0.2912 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus neuropeptide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni neuropeptide F-like receptor 0.0456 0.2912 1
Schistosoma mansoni hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0456 0.2912 0.2912
Echinococcus multilocularis neuropeptide Y receptor 0.0456 0.2912 0.2912
Brugia malayi neuropeptide F receptor 0.0456 0.2912 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0456 0.2912 0.5
Echinococcus granulosus orexin receptor type 2 0.0456 0.2912 0.2912
Onchocerca volvulus 0.0456 0.2912 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.0396 0.1359
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi G-protein coupled receptor 0.0456 0.2912 1
Echinococcus granulosus neuropeptide receptor 0.0456 0.2912 0.2912
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Brugia malayi Serotonin receptor 0.0456 0.2912 1
Echinococcus multilocularis sex peptide receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis dro:myosuppressin receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0456 0.2912 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0075 0.0396 0.0396
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0456 0.2912 1
Brugia malayi sulfakinin receptor protein 0.0456 0.2912 1
Schistosoma mansoni hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis g protein coupled receptor 0.0456 0.2912 0.2912
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Brugia malayi Dopamine receptor 0.0456 0.2912 1
Loa Loa (eye worm) G-protein coupled receptor 0.0456 0.2912 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0456 0.2912 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0341 0.215 0.7383
Loa Loa (eye worm) TYRA-2 protein 0.0456 0.2912 1
Echinococcus multilocularis neuropeptide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0456 0.2912 0.2912
Brugia malayi Melatonin receptor type 1A 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus somatostatin receptor 0.0456 0.2912 0.2912
Schistosoma mansoni growth hormone secretagogue receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus neuropeptide s receptor 0.0456 0.2912 0.2912
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0045 0.0045
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0456 0.2912 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0456 0.2912 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0456 0.2912 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0456 0.2912 0.2912
Schistosoma mansoni neuropeptide receptor 0.0456 0.2912 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0456 0.2912 1
Schistosoma mansoni hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis g protein coupled receptor 0.0456 0.2912 0.2912
Brugia malayi RE15519p 0.0456 0.2912 1
Echinococcus multilocularis neuropeptide s receptor 0.0456 0.2912 0.2912
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0045 0.0156
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0075 0.0396 0.0396
Brugia malayi Tachykinin-like peptides receptor 99D 0.0456 0.2912 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Brugia malayi hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus tm gpcr rhodopsin 0.0456 0.2912 0.2912
Schistosoma mansoni amine GPCR 0.0456 0.2912 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0456 0.2912 1
Schistosoma mansoni neuropeptide receptor 0.0456 0.2912 1
Loa Loa (eye worm) G-protein coupled receptor 0.0456 0.2912 1
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0441 0.1515
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0456 0.2912 0.2912
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0456 0.2912 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0456 0.2912 1
Onchocerca volvulus 0.0456 0.2912 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0456 0.2912 0.2912
Echinococcus multilocularis thymidine phosphorylase 0.1531 1 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni biogenic amine receptor 0.0456 0.2912 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0456 0.2912 0.2912
Onchocerca volvulus 0.0456 0.2912 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Schistosoma mansoni opsin-like receptor 0.0456 0.2912 1
Loa Loa (eye worm) neuropeptide F receptor 0.0456 0.2912 1
Schistosoma mansoni amine GPCR 0.0456 0.2912 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0456 0.2912 0.2912
Echinococcus multilocularis fmrfamide receptor 0.0456 0.2912 0.2912
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0045 0.0156
Echinococcus granulosus fmrfamide receptor 0.0456 0.2912 0.2912
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0363 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0456 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.2912 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1531 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.6 uM Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase ChEMBL. 12519058
IC50 (binding) = 1.6 uM Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase ChEMBL. 12519058
IC50 (binding) = 2.4 uM Inhibitory concentration against thymidine phosphorylase of Escherichia coli ChEMBL. 15658853
IC50 (binding) = 2.4 uM Inhibitory concentration against thymidine phosphorylase of Escherichia coli ChEMBL. 15658853
IC50 (binding) = 257.7 uM Inhibitory concentration against human thymidine phosphorylase ChEMBL. 15658853
IC50 (binding) = 257.7 uM Inhibitory concentration against human thymidine phosphorylase ChEMBL. 15658853
Km (binding) = 42.3 uM Michaelis-menton constant against xanthine oxidase under anaerobic conditions ChEMBL. 15658853
Km (binding) = 92.4 uM Michaelis-menton constant against xanthine oxidase under aerobic conditions ChEMBL. 15658853
Ratio (binding) = 2.8 Inhibition selectivity ratio against Thymidine Phosphorylase is the ratio of IC50 of the nitro compound to the IC50 of amino compound ChEMBL. 12519058
Ratio (binding) = 2.8 Inhibition selectivity ratio against Thymidine Phosphorylase is the ratio of IC50 of the nitro compound to the IC50 of amino compound ChEMBL. 12519058
Vmax (binding) = 0.0057 delta A/min Vmax against xanthine oxidase under aerobic conditions ChEMBL. 15658853
Vmax (binding) = 0.0099 delta A/min Vmax against xanthine oxidase under anaerobic conditions ChEMBL. 15658853
Vmax (binding) = 0.535 uM/min Vmax against xanthine oxidase under aerobic conditions ChEMBL. 15658853
Vmax (binding) = 0.938 uM/min Vmax against xanthine oxidase under anaerobic conditions ChEMBL. 15658853

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

2 literature references were collected for this gene.

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