Detailed information for compound 1551133

Basic information

Technical information
  • TDR Targets ID: 1551133
  • Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)- N-butyl-3-methyl-4-oxophthalazine-1-carboxami de
  • MW: 426.469 | Formula: C21H26N6O4
  • H donors: 2 H acceptors: 4 LogP: 1.5 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1c(=O)[nH]c(=O)n(c1N)CCC)C(=O)c1nn(C)c(=O)c2c1cccc2
  • InChi: 1S/C21H26N6O4/c1-4-6-12-26(16-17(22)27(11-5-2)21(31)23-18(16)28)20(30)15-13-9-7-8-10-14(13)19(29)25(3)24-15/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,28,31)
  • InChiKey: WJDXWYZYDOSECK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-methyl-4-oxo-phthalazine-1-carboxamide
  • N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-methyl-4-oxo-1-phthalazinecarboxamide
  • N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-keto-3-methyl-phthalazine-1-carboxamide
  • T5378362

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 tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0107 0.648 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0076 0.4276 0.4276
Schistosoma mansoni tyrosine kinase 0.0019 0.017 0.0231
Echinococcus granulosus tyrosine protein kinase HCK 0.0068 0.367 0.367
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0074 0.4106 0.4106
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0084 0.4867 0.4867
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0047 0.2213 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0084 0.4867 0.4867
Echinococcus granulosus muscleblind protein 0.0156 1 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0081 0.0081
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0019 0.017 0.017
Echinococcus multilocularis muscleblind protein 1 0.0156 1 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0119 0.7379 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Trypanosoma cruzi oligopeptidase b 0.0047 0.2213 0.1915
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Brugia malayi Bromodomain containing protein 0.0078 0.4424 0.4424
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2771 0.2771
Echinococcus multilocularis muscleblind protein 0.0156 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0081 0.0109
Brugia malayi PHD-finger family protein 0.0026 0.067 0.067
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0989 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0076 0.4276 0.4276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0081 0.0109
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0989 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0081 0.0081
Echinococcus multilocularis zinc finger protein 0.002 0.027 0.027
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0081 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2771 0.3755
Echinococcus granulosus tyrosine protein kinase Blk 0.0076 0.4276 0.4276
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0047 0.2213 0.1915
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0492 0.0492
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0119 0.7379 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0084 0.4867 0.4867
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2771 0.3755
Echinococcus granulosus zinc finger protein 0.002 0.027 0.027
Leishmania major oligopeptidase b 0.0047 0.2213 0.1915
Echinococcus multilocularis c src tyrosine kinase 0.0019 0.017 0.017
Brugia malayi Bromodomain containing protein 0.004 0.1673 0.1673
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0084 0.4867 0.4867
Echinococcus granulosus tyrosine protein kinase Src64B 0.0084 0.4867 0.4867
Loa Loa (eye worm) hypothetical protein 0.004 0.1679 0.1679
Toxoplasma gondii prolyl endopeptidase 0.0119 0.7379 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0084 0.4867 0.4867
Echinococcus multilocularis tyrosine protein kinase Abl 0.0019 0.017 0.017
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.3278 0.3278
Loa Loa (eye worm) hypothetical protein 0.003 0.0989 0.0989
Brugia malayi hypothetical protein 0.003 0.0989 0.0989
Echinococcus granulosus tyrosine protein kinase Src42A 0.0084 0.4867 0.4867
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2771 0.2771
Schistosoma mansoni hypothetical protein 0.0022 0.0349 0.0473
Schistosoma mansoni tyrosine kinase 0.0084 0.4867 0.6596
Loa Loa (eye worm) SRC-1 0.0084 0.4867 0.4867
Brugia malayi Tyrosine-protein kinase abl-1 0.0019 0.017 0.017
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0989 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0081 0.0109
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0047 0.2213 0.1915
Echinococcus granulosus tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Echinococcus granulosus c src tyrosine kinase 0.0019 0.017 0.017
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0492 0.0492
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0047 0.2213 0.1915
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0076 0.4276 0.4276
Trypanosoma brucei prolyl oligopeptidase, putative 0.0047 0.2213 0.1915
Loa Loa (eye worm) hypothetical protein 0.0119 0.7379 0.7379
Echinococcus multilocularis prolyl endopeptidase 0.0119 0.7379 0.7379
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2771 0.2771
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0349 0.0349
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0084 0.4867 0.4867
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0119 0.7379 1
Schistosoma mansoni tyrosine kinase 0.0084 0.4867 0.6596
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0084 0.4867 0.4867
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2771 0.2771
Echinococcus granulosus tyrosine protein kinase Src42A 0.0074 0.4106 0.4106
Brugia malayi protein-tyrosine kinase 0.0076 0.4276 0.4276
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0492 0.0667
Echinococcus granulosus prolyl endopeptidase 0.0119 0.7379 0.7379
Loa Loa (eye worm) hypothetical protein 0.0074 0.4104 0.4104
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0119 0.7379 1
Loa Loa (eye worm) TK protein kinase 0.0076 0.4276 0.4276
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0081 0.0081
Echinococcus granulosus tyrosine kinase 0.0076 0.4276 0.4276
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0019 0.017 0.017
Trypanosoma cruzi oligopeptidase b 0.0047 0.2213 0.1915
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0081 0.0109
Trypanosoma brucei prolyl endopeptidase 0.0119 0.7379 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Echinococcus multilocularis tyrosine protein kinase Srms 0.0076 0.4276 0.4276
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0047 0.2213 0.1915
Loa Loa (eye worm) TK protein kinase 0.0068 0.367 0.367
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2771 0.2771
Schistosoma mansoni zinc finger protein 0.002 0.027 0.0366
Loa Loa (eye worm) hypothetical protein 0.0018 0.0081 0.0081
Echinococcus granulosus tyrosine protein kinase Lyn 0.0084 0.4867 0.4867
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0084 0.4867 0.4867
Schistosoma mansoni tyrosine kinase 0.0019 0.017 0.0231
Echinococcus multilocularis tyrosine protein kinase HCK 0.0068 0.367 0.367
Brugia malayi prolyl oligopeptidase family protein 0.0119 0.7379 0.7379
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2771 0.2771
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0084 0.4867 0.4867
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1496 0.1496
Brugia malayi SRC-1 0.0084 0.4867 0.4867
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0047 0.2213 0.5
Brugia malayi hypothetical protein 0.002 0.0214 0.0214
Schistosoma mansoni bromodomain containing protein 0.0066 0.3546 0.4805
Trypanosoma cruzi prolyl endopeptidase 0.0119 0.7379 1
Trypanosoma brucei oligopeptidase b 0.0047 0.2213 0.1915
Loa Loa (eye worm) hypothetical protein 0.0043 0.1856 0.1856
Entamoeba histolytica protein kinase, putative 0.0068 0.367 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.3278 0.3278
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0019 0.017 0.0231
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0127 0.0127
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1496 0.1496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2771 0.3755
Loa Loa (eye worm) hypothetical protein 0.0044 0.1999 0.1999

Activities

Activity type Activity value Assay description Source 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

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

No literature references available for this target.

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