Detailed information for compound 1481778

Basic information

Technical information
  • TDR Targets ID: 1481778
  • Name: (5Z)-5-[1-[(4-methylpiperazin-1-yl)amino]ethy lidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6- trione
  • MW: 357.407 | Formula: C18H23N5O3
  • H donors: 2 H acceptors: 3 LogP: 1.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)N/C(=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1)/C
  • InChi: 1S/C18H23N5O3/c1-13(20-22-10-8-21(2)9-11-22)15-16(24)19-18(26)23(17(15)25)12-14-6-4-3-5-7-14/h3-7,20H,8-12H2,1-2H3,(H,19,24,26)/b15-13-
  • InChiKey: OPBZQXQMKHWNNS-SQFISAMPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[1-[(4-methylpiperazin-1-yl)amino]ethylidene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
  • (5Z)-5-[1-[(4-methyl-1-piperazinyl)amino]ethylidene]-1-(phenylmethyl)hexahydropyrimidine-2,4,6-trione
  • (5Z)-1-(benzyl)-5-[1-[(4-methylpiperazin-1-yl)amino]ethylidene]barbituric acid
  • STOCK4S-10104
  • 1-Benzyl-5-[1-(4-methyl-piperazin-1-ylamino)-eth-(Z)-ylidene]-pyrimidine-2,4,6-trione
  • MLS000331569
  • SMR000220639

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0064 0.5
Echinococcus granulosus cyclin dependent kinase 7 0.046 0.2001 0.1995
Schistosoma mansoni tyrosine kinase 0.0278 0.115 0.1144
Entamoeba histolytica protein kinase domain containing protein 0.0075 0.0198 0.0257
Schistosoma mansoni tyrosine kinase 0.0465 0.2023 0.2017
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Plasmodium vivax protein kinase Crk2 0.1159 0.5276 1
Trypanosoma brucei cdc2-related kinase 3 0.1159 0.5276 1
Echinococcus multilocularis aurora kinase A 0.0075 0.0198 0.0191
Loa Loa (eye worm) hypothetical protein 0.0084 0.0242 0.0446
Echinococcus granulosus cyclin dependent kinase 6 0.0978 0.4429 0.4425
Mycobacterium ulcerans hypothetical protein 0.0046 0.0064 1
Echinococcus granulosus defective proboscis extension response 0.0053 0.0097 0.0089
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0053 0.0097 0.0089
Echinococcus multilocularis insulin receptor 0.0278 0.115 0.1144
Echinococcus multilocularis 0.0265 0.1087 0.1081
Schistosoma mansoni protein kinase 0.0075 0.0198 0.0191
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0053 0.0097 0.0089
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0872 0.3934 0.7453
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0278 0.115 0.1144
Schistosoma mansoni vesicular amine transporter 0.0053 0.0097 0.0089
Echinococcus multilocularis roundabout 2 0.0084 0.0242 0.0235
Schistosoma mansoni tyrosine kinase 0.0041 0.0037 0.003
Onchocerca volvulus 0.0046 0.0064 0.0154
Brugia malayi serine/threonine-protein kinase 6 0.0075 0.0198 0.0362
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.032 0.0594
Entamoeba histolytica protein kinase, putative 0.0075 0.0198 0.0257
Echinococcus granulosus cyclin dependent kinase 5 0.1159 0.5276 0.5272
Echinococcus granulosus cyclin dependent kinase 0.1159 0.5276 0.5272
Plasmodium falciparum serine/threonine protein kinase, putative 0.0075 0.0198 0.0359
Echinococcus multilocularis epidermal growth factor receptor 0.0465 0.2023 0.2017
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0064 0.0107
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Echinococcus granulosus aurora kinase A 0.0075 0.0198 0.0191
Trichomonas vaginalis CMGC family protein kinase 0.1159 0.5276 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0064 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.029 0.0283
Loa Loa (eye worm) TK/INSR protein kinase 0.0278 0.115 0.217
Echinococcus granulosus epidermal growth factor receptor 0.0465 0.2023 0.2017
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.3563 0.3559
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.029 0.0283
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0075 0.0198 0.0257
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0097 0.017
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.1159 0.5276 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0872 0.3934 0.7453
Brugia malayi serine/threonine kinase 12 0.0075 0.0198 0.0362
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0009 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0075 0.0198 0.0257
Loa Loa (eye worm) hypothetical protein 0.0046 0.0064 0.0107
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.017 0.0309
Giardia lamblia Kinase, CMGC CDK 0.1159 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0075 0.0198 0.0191
Schistosoma mansoni nephrin 0.0067 0.0161 0.0153
Schistosoma mansoni serine/threonine protein kinase 0.0978 0.4429 0.4425
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0052 0.0089 0.0155
Brugia malayi serine/threonine protein kinase 6 0.0075 0.0198 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0064 0.0107
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.1159 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.032 0.0594
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0064 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0465 0.2023 0.2017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.029 0.0283
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0198 0.0191
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0064 0.0107
Schistosoma mansoni tyrosine kinase 0.0278 0.115 0.1144
Schistosoma mansoni serine/threonine protein kinase 0.046 0.2001 0.1995
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0064 1
Trypanosoma cruzi cdc2-related kinase 1 0.1159 0.5276 1
Entamoeba histolytica protein kinase , putative 0.0075 0.0198 0.0257
Brugia malayi hypothetical protein 0.0053 0.0097 0.017
Loa Loa (eye worm) AUR protein kinase 0.0075 0.0198 0.0362
Loa Loa (eye worm) AUR protein kinase 0.0075 0.0198 0.0362
Entamoeba histolytica cell division protein kinase 2, putative 0.1159 0.5276 1
Plasmodium falciparum protein kinase 5 0.1159 0.5276 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.029 0.0283
Echinococcus granulosus roundabout 2 0.0084 0.0242 0.0235
Entamoeba histolytica cell division protein kinase 2, putative 0.1159 0.5276 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.029 0.0537
Brugia malayi cyclin-dependent kinase 7 homolog 0.046 0.2001 0.3785
Schistosoma mansoni tyrosine kinase 0.0455 0.1978 0.1972
Trichomonas vaginalis CMGC family protein kinase 0.1159 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Echinococcus multilocularis cyclin dependent kinase 5 0.1159 0.5276 0.5272
Echinococcus multilocularis microtubule associated protein 2 0.2167 1 1
Schistosoma mansoni cell adhesion molecule 0.0071 0.0178 0.0171
Loa Loa (eye worm) hypothetical protein 0.0046 0.0064 0.0107
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0075 0.0198 0.0191
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.1159 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Loa Loa (eye worm) hypothetical protein 0.0071 0.0178 0.0324
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.1159 0.5276 0.5272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.029 0.0283
Loa Loa (eye worm) hypothetical protein 0.1138 0.5179 0.9816
Schistosoma mansoni serine/threonine protein kinase 0.1159 0.5276 0.5272
Echinococcus granulosus epidermal growth factor receptor 0.086 0.3878 0.3874
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0075 0.0198 0.0359
Schistosoma mansoni tyrosine kinase 0.0455 0.1978 0.1972
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Trypanosoma cruzi cdc2-related kinase 3 0.1159 0.5276 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.029 0.0283
Schistosoma mansoni serine/threonine protein kinase 0.046 0.2001 0.1995
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0064 1
Brugia malayi Furin-like cysteine rich region family protein 0.086 0.3878 0.7348
Trichomonas vaginalis CMGC family protein kinase 0.1159 0.5276 1
Echinococcus multilocularis cyclin dependent kinase 0.1159 0.5276 0.5272
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.029 0.0537
Trypanosoma cruzi cdc2-related kinase 1 0.1159 0.5276 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0064 1
Echinococcus granulosus twitchin 0.0088 0.0257 0.025
Brugia malayi Protein kinase domain containing protein 0.1159 0.5276 1
Onchocerca volvulus 0.0792 0.3557 0.9701
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.032 0.0594
Brugia malayi Fibronectin type III domain containing protein 0.0053 0.0097 0.017
Giardia lamblia Kinase, CMGC CDK 0.1159 0.5276 1
Trypanosoma brucei cdc2-related kinase 1 0.1159 0.5276 1
Echinococcus granulosus Immunoglobulin 0.0053 0.0097 0.0089
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Echinococcus granulosus cyclin dependent kinase 1 0.1159 0.5276 0.5272
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.1159 0.5276 1
Schistosoma mansoni tyrosine kinase 0.0465 0.2023 0.2017
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0064 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0064 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0242 0.0446
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0071 0.0178 0.0171
Echinococcus granulosus neuroglian 0.0067 0.0161 0.0153
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1159 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Echinococcus multilocularis Immunoglobulin 0.0053 0.0097 0.0089
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0053 0.0097 0.0089
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0064 1
Echinococcus granulosus geminin 0.0343 0.1456 0.145
Echinococcus multilocularis neuroglian 0.0067 0.0161 0.0153
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.046 0.2001 0.3785
Schistosoma mansoni tyrosine kinase 0.0455 0.1978 0.1972
Schistosoma mansoni hypothetical protein 0.0343 0.1456 0.145
Echinococcus multilocularis geminin 0.0343 0.1456 0.145
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0009 0.139
Loa Loa (eye worm) TK/EGFR protein kinase 0.086 0.3878 0.7348
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0064 1
Schistosoma mansoni serine/threonine protein kinase 0.1159 0.5276 0.5272
Trypanosoma cruzi cdc2-related kinase 3 0.1159 0.5276 1
Onchocerca volvulus Tyrosine kinase homolog 0.0815 0.3666 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0278 0.115 0.1144
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0064 1
Schistosoma mansoni microtubule-associated protein tau 0.2167 1 1
Echinococcus multilocularis cyclin dependent kinase 7 0.046 0.2001 0.1995
Schistosoma mansoni tyrosine kinase 0.086 0.3878 0.3874
Loa Loa (eye worm) hypothetical protein 0.0053 0.0097 0.017
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1159 0.5276 1
Brugia malayi cell division control protein 2 homolog 0.1159 0.5276 1
Echinococcus multilocularis cyclin dependent kinase 6 0.0978 0.4429 0.4425
Schistosoma mansoni hypothetical protein 0.0343 0.1456 0.145
Entamoeba histolytica protein kinase, putative 0.0075 0.0198 0.0257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.029 0.0283
Echinococcus multilocularis cyclin dependent kinase 1 0.1159 0.5276 0.5272
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0075 0.0198 0.0257
Echinococcus multilocularis epidermal growth factor receptor 0.086 0.3878 0.3874
Echinococcus granulosus insulin receptor 0.0278 0.115 0.1144
Loa Loa (eye worm) AUR protein kinase 0.0075 0.0198 0.0362
Schistosoma mansoni hypothetical protein 0.0069 0.017 0.0163
Loa Loa (eye worm) hypothetical protein 0.0046 0.0064 0.0107
Brugia malayi Protein kinase domain containing protein 0.0278 0.115 0.217
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.032 0.0594
Echinococcus multilocularis Immunoglobulin 0.0053 0.0097 0.0089
Loa Loa (eye worm) hypothetical protein 0.0069 0.017 0.0309
Leishmania major protein kinase, putative 0.0075 0.0198 0.0257
Echinococcus multilocularis cyclin dependent kinase 1 0.1159 0.5276 0.5272

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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