Detailed information for compound 517582

Basic information

Technical information
  • TDR Targets ID: 517582
  • Name: 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinan e-2,4,6-trione
  • MW: 232.192 | Formula: C11H8N2O4
  • H donors: 3 H acceptors: 4 LogP: 0.61 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)NC(=O)C1=Cc1ccc(cc1)O
  • InChi: 1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
  • InChiKey: KSOJQSBHVKAHPC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(4-hydroxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 5-(4-hydroxybenzylidene)barbituric acid
  • SR-01000636648-1
  • A2823/0119216
  • ZINC02848876
  • 5-(4-Hydroxy-benzylidene)-pyrimidine-2,4,6-trione
  • BAS 00393632

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens methionyl aminopeptidase 1 Starlite/ChEMBL References
Agaricus bisporus Tyrosinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii methionine aminopeptidase 2, putative methionyl aminopeptidase 1 386 aa 313 aa 20.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis fmrfamide receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis neuropeptide s receptor 0.0036 0.0161 0.0619
Schistosoma mansoni hypothetical protein 0.0036 0.0161 0.0161
Echinococcus multilocularis G-protein coupled receptor, putative 0.0036 0.0161 0.0619
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptide receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0054 0.2598 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0036 0.0161 0.0619
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0034 0 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0054 0.2598 0.5
Schistosoma mansoni amine GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptide receptor A26 0.0036 0.0161 0.0619
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.0161 0.0161
Schistosoma mansoni biogenic amine receptor 0.0036 0.0161 0.0161
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Schistosoma mansoni neuropeptide f receptor 76f 0.0036 0.0161 0.0161
Schistosoma mansoni myosin xvIII 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptide receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0036 0.0161 0.0619
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0.0161 0.0619
Schistosoma mansoni amine GPCR 0.0036 0.0161 0.0161
Brugia malayi Common central domain of tyrosinase family protein 0.0111 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0036 0.0161 0.0161
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0.0161 0.0619
Schistosoma mansoni hypothetical protein 0.0036 0.0161 0.0161
Echinococcus multilocularis sex peptide receptor 0.0036 0.0161 0.0619
Onchocerca volvulus 0.0111 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0034 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0.0161 0.0619
Schistosoma mansoni alpha-1 adrenergic receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis g protein coupled receptor 0.0036 0.0161 0.0619
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 1 1
Schistosoma mansoni opsin-like receptor 0.0036 0.0161 0.0161
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0054 0.2598 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0034 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0036 0.0161 0.0619
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0111 1 1
Schistosoma mansoni neuropeptide receptor 0.0036 0.0161 0.0161
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis orexin receptor type 2 0.0036 0.0161 0.0619
Onchocerca volvulus 0.0111 1 1
Schistosoma mansoni amine GPCR 0.0036 0.0161 0.0161
Schistosoma mansoni growth hormone secretagogue receptor 0.0036 0.0161 0.0161
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0034 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0036 0.0161 0.0161
Trypanosoma brucei methionine aminopeptidase, putative 0.0054 0.2598 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0036 0.0161 0.0161
Loa Loa (eye worm) tyrosinase 1 0.0111 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0036 0.0161 0.0619
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0054 0.2598 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0034 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0.0161 0.0619
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 0.2598 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 0.2598 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.0161 0.0619
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis G protein coupled receptor 139 0.0036 0.0161 0.0619
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Schistosoma mansoni tyrosinase precursor 0.0111 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0036 0.0161 0.0619
Treponema pallidum methionine aminopeptidase (map) 0.0034 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis serotonin receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0036 0.0161 0.0619
Echinococcus multilocularis g protein coupled receptor 0.0036 0.0161 0.0619
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Echinococcus multilocularis serotonin receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Onchocerca volvulus 0.0111 1 1
Schistosoma mansoni opsin-like receptor 0.0036 0.0161 0.0161
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0054 0.2598 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.0161 0.0619
Echinococcus multilocularis g protein coupled receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0036 0.0161 0.0619
Echinococcus multilocularis g-protein coupled receptor 0.0036 0.0161 0.0619
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0.0161 0.0161
Schistosoma mansoni tyrosinase precursor 0.0111 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0054 0.2598 1
Schistosoma mansoni neuropeptide receptor 0.0036 0.0161 0.0161
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0.0161 0.0161
Schistosoma mansoni amine GPCR 0.0036 0.0161 0.0161
Chlamydia trachomatis methionine aminopeptidase 0.0034 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0.0161 0.0619
Schistosoma mansoni biogenic amine receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Schistosoma mansoni hypothetical protein 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0036 0.0161 0.0161
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0036 0.0161 0.0619
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0054 0.2598 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0036 0.0161 0.0161
Schistosoma mansoni amine GPCR 0.0036 0.0161 0.0161
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0034 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0036 0.0161 0.0619
Schistosoma mansoni histamine h1 receptor 0.0036 0.0161 0.0161
Schistosoma mansoni opsin-like receptor 0.0036 0.0161 0.0161
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0.0161 0.0161
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0036 0.0161 0.0619
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0.0161 0.0619
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Schistosoma mansoni neuropeptide receptor 0.0036 0.0161 0.0161
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0034 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0036 0.0161 0.0619
Schistosoma mansoni hypothetical protein 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Toxoplasma gondii methionine aminopeptidase 0.0054 0.2598 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Echinococcus multilocularis somatostatin receptor 0.0036 0.0161 0.0619
Schistosoma mansoni adenoreceptor 0.0036 0.0161 0.0161
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0.0161 0.0619
Brugia malayi Methionine aminopeptidase protein type I 0.0054 0.2598 0.2477
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0.0161 0.0161
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0036 0.0161 0.0619
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0.0161 0.0161
Schistosoma mansoni neuropeptide receptor 0.0036 0.0161 0.0161
Loa Loa (eye worm) methionine aminopeptidase type I 0.0054 0.2598 0.2477
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0.0161 0.0619
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0.0161 0.0161
Onchocerca volvulus 0.0111 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli at 1 mg/ml after 24 hrs by agar dilution method ChEMBL. 19552984
IC50 (binding) = 13.98 uM Inhibition of mushroom tyrosinase ChEMBL. 19552984
IC50 (binding) = 13.98 uM Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate assessed as formation of DOPAchrome preincubated for 10 mins followed by substrate addition measured for 1 min ChEMBL. 24857777
Inhibition (functional) = 4.3 % Inhibition of MCP1-induced chemotaxis in mouse RAW264.7 cells at 25 ug/mL relative to control ChEMBL. 19904929
Inhibition (binding) = 100 % Inhibition of mushroom tyrosinase at 200 uM ChEMBL. 19552984
Ki (binding) = 4 uM Inhibition of Escherichia coli methionine aminopeptidase 1 ChEMBL. 18343108
Ki (binding) = 10 uM Inhibition of human methionine aminopeptidase 1 ChEMBL. 18343108
Ki (binding) = 10 uM Inhibition of human methionine aminopeptidase 1 ChEMBL. 18343108
MIC80 (functional) Antifungal activity against Candida albicans ATCC 10231 after 48 to 72 hrs by broth microdilution method ChEMBL. 24361188

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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