Detailed information for compound 1347835

Basic information

Technical information
  • TDR Targets ID: 1347835
  • Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidi n-5-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5- a]pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl) acetamide
  • MW: 510.569 | Formula: C23H26N8O4S
  • H donors: 2 H acceptors: 6 LogP: 1.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)CSc1nn2c(n1)nc(cc2C)C
  • InChi: 1S/C23H26N8O4S/c1-14-11-15(2)31-21(25-14)27-22(28-31)36-13-17(32)29(9-10-35-3)18-19(24)30(23(34)26-20(18)33)12-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13,24H2,1-3H3,(H,26,33,34)
  • InChiKey: OLISKNSREZHXGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-methoxyethyl)acetamide
  • N-[6-amino-1-(benzyl)-2,4-diketo-pyrimidin-5-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-methoxyethyl)acetamide
  • N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)ethanamide
  • T5284006
  • ZINC03362432
  • SMR000343138
  • MLS000517014

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Toxoplasma gondii histone lysine-specific demethylase 0.0044 0.0148 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.8441 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0044 0.0148 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0057 0.0622 0.0737
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0044 0.0148 0.5
Leishmania major UDP-galactopyranose mutase 0.0044 0.0148 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Echinococcus multilocularis geminin 0.0195 0.5341 0.5271
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Plasmodium falciparum protoporphyrinogen oxidase 0.0044 0.0148 0.5
Onchocerca volvulus 0.0058 0.0651 1
Brugia malayi hypothetical protein 0.0286 0.8441 1
Brugia malayi SWIRM domain containing protein 0.0044 0.0148 0.0175
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Schistosoma mansoni hypothetical protein 0.0195 0.5341 0.5341
Schistosoma mansoni hypothetical protein 0.0195 0.5341 0.5341
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8441 0.8418
Echinococcus granulosus geminin 0.0195 0.5341 0.6213
Schistosoma mansoni survival motor neuron protein 0.0058 0.0651 0.0651
Trypanosoma cruzi UDP-galactopyranose mutase 0.0044 0.0148 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0044 0.0148 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0331 1 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8441 0.9921
Echinococcus multilocularis protoporphyrinogen oxidase 0.0331 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0287 0.8507 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0331 1 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0044 0.0148 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0044 0.0148 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0148 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0331 1 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0044 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Brugia malayi amine oxidase, flavin-containing family protein 0.0044 0.0148 0.0175
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0622 0.0737
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0622 0.0737
Brugia malayi hypothetical protein 0.0044 0.0148 0.0175
Schistosoma mansoni amine oxidase 0.0044 0.0148 0.0148
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0044 0.0148 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.0287 0.8507 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0622 0.0737
Loa Loa (eye worm) hypothetical protein 0.0044 0.0148 0.0175
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.6501 0.76
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0651 0.0772
Schistosoma mansoni amine oxidase 0.0044 0.0148 0.0148
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0148 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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