Detailed information for compound 769456

Basic information

Technical information
  • TDR Targets ID: 769456
  • Name: 2-[6-(2-chloro-6-methylpyrimidin-4-yl)oxypyri dazin-3-yl]oxyacetamide
  • MW: 295.682 | Formula: C11H10ClN5O3
  • H donors: 1 H acceptors: 5 LogP: 0.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)COc1ccc(nn1)Oc1cc(C)nc(n1)Cl
  • InChi: 1S/C11H10ClN5O3/c1-6-4-10(15-11(12)14-6)20-9-3-2-8(16-17-9)19-5-7(13)18/h2-4H,5H2,1H3,(H2,13,18)
  • InChiKey: RTPYMKQNGACMPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[6-(2-chloro-6-methyl-pyrimidin-4-yl)oxypyridazin-3-yl]oxyacetamide
  • 2-[[6-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]-3-pyridazinyl]oxy]acetamide
  • 2-[6-(2-chloro-6-methyl-pyrimidin-4-yl)oxypyridazin-3-yl]oxyethanamide
  • A3555/0150735
  • ZINC04193040
  • 2-({6-[(2-chloro-6-methylpyrimidin-4-yl)oxy]pyridazin-3-yl}oxy)acetamide
  • MLS000724226
  • SMR000305820

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0139 0.0124
Brugia malayi hypothetical protein 0.0009 0.0139 0.0146
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0139 0.0139
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0139 0.0146
Trypanosoma cruzi hypothetical protein 0.0006 0.0015 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.193 0.1918
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0139 0.0124
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.193 0.193
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0139 0.0124
Loa Loa (eye worm) hypothetical protein 0.0009 0.0139 0.0146
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0015 0.0015
Schistosoma mansoni dep domain containing protein 0.0009 0.0139 0.0139
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0139 0.0146
Entamoeba histolytica hypothetical protein 0.0114 0.5432 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0015 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0015 0.0015
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0015 0.0015
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0139 0.0124
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0139 0.0146
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0009 0.0139 0.0146
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0139 0.0146
Loa Loa (eye worm) hypothetical protein 0.0174 0.848 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0114 0.5432 0.5425
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.193 0.1918
Entamoeba histolytica hypothetical protein 0.0114 0.5432 1
Toxoplasma gondii hypothetical protein 0.0009 0.0139 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.193 0.193
Schistosoma mansoni hypothetical protein 0.0114 0.5432 0.5432
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0015 0.0015
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0006 0.0015 0.5
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0139 0.0124
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.193 0.1918
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0139 0.0124
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0139 0.0146
Entamoeba histolytica hypothetical protein 0.0114 0.5432 1
Schistosoma mansoni dishevelled 0.0009 0.0139 0.0139
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0139 0.0124
Brugia malayi N-terminal motif family protein 0.0174 0.848 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.193 0.193
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0139 0.0139
Onchocerca volvulus 0.0009 0.0139 0.0146
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0015 0.0015
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0006 0.0015 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0139 0.0124
Brugia malayi hypothetical protein 0.0114 0.5432 0.64
Trypanosoma cruzi hypothetical protein 0.0006 0.0015 0.5
Brugia malayi DIX domain containing protein 0.0009 0.0139 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0139 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.193 0.1918
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0114 0.5432 0.5425
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0139 0.0124
Schistosoma mansoni transcription factor LCR-F1 0.0114 0.5432 0.5432
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.193 0.2262
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0.0015 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0139 0.0124
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.193 0.2262
Schistosoma mansoni dishevelled 0.0009 0.0139 0.0139
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0139 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 0.848 1
Brugia malayi hypothetical protein 0.0009 0.0139 0.0146
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0015 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Entamoeba histolytica hypothetical protein 0.0114 0.5432 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1853 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.