Detailed information for compound 1244044

Basic information

Technical information
  • TDR Targets ID: 1244044
  • Name: 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]- N-propylacetamide
  • MW: 351.399 | Formula: C20H21N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)COc1ccc(cc1)c1nn(C)c(=O)c2c1cccc2
  • InChi: 1S/C20H21N3O3/c1-3-12-21-18(24)13-26-15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)20(25)23(2)22-19/h4-11H,3,12-13H2,1-2H3,(H,21,24)
  • InChiKey: NVGPHWXLSAXULV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(3-methyl-4-oxo-phthalazin-1-yl)phenoxy]-N-propyl-acetamide
  • 2-[4-(3-methyl-4-oxo-1-phthalazinyl)phenoxy]-N-propylacetamide
  • 2-[4-(4-keto-3-methyl-phthalazin-1-yl)phenoxy]-N-propyl-acetamide
  • 2-[4-(3-methyl-4-oxo-phthalazin-1-yl)phenoxy]-N-propyl-ethanamide
  • ZINC02329117
  • 2-[4-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-phenoxy]-N-propyl-acetamide
  • BAS 07007841
  • STOCK4S-59155

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin 0.0032 0.3492 0.6336
Loa Loa (eye worm) hypothetical protein 0.0028 0.2459 0.2459
Echinococcus granulosus lamin dm0 0.0032 0.3492 0.6336
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5561 0.5561
Loa Loa (eye worm) pyruvate kinase 0.004 0.5274 0.5274
Echinococcus granulosus pyruvate kinase 0.002 0.0746 0.0691
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.5274 0.5274
Giardia lamblia Pyruvate kinase 0.004 0.5274 1
Mycobacterium ulcerans pyruvate kinase 0.004 0.5274 0.5
Chlamydia trachomatis pyruvate kinase 0.004 0.5274 0.5
Echinococcus granulosus pyruvate kinase 0.004 0.5274 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.2459 0.2459
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5274 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5274 0.5
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.5274 0.5
Loa Loa (eye worm) pyruvate kinase 0.004 0.5274 0.5274
Echinococcus granulosus intermediate filament protein 0.0032 0.3492 0.6336
Loa Loa (eye worm) hypothetical protein 0.0019 0.041 0.041
Schistosoma mansoni pyruvate kinase 0.004 0.5274 0.9443
Schistosoma mansoni lamin 0.0032 0.3492 0.5983
Echinococcus multilocularis pyruvate kinase 0.002 0.0746 0.0691
Schistosoma mansoni pyruvate kinase 0.002 0.0746 0.0652
Loa Loa (eye worm) hypothetical protein 0.0032 0.3354 0.3354
Echinococcus granulosus pyruvate kinase 0.004 0.5274 1
Schistosoma mansoni pyruvate kinase 0.004 0.5274 0.9443
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.5274 0.5
Plasmodium falciparum pyruvate kinase 0.004 0.5274 1
Schistosoma mansoni hypothetical protein 0.0041 0.5561 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5274 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5274 0.5274
Loa Loa (eye worm) hypothetical protein 0.0032 0.3492 0.3492
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5274 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.2459 0.5
Loa Loa (eye worm) intermediate filament protein 0.0032 0.3492 0.3492
Echinococcus multilocularis pyruvate kinase 0.002 0.0746 0.0691
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5274 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5274 1
Echinococcus multilocularis lamin dm0 0.0032 0.3492 0.6336
Loa Loa (eye worm) pyruvate kinase 0.004 0.5274 0.5274
Leishmania major pyruvate kinase 0.004 0.5274 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5274 0.5
Echinococcus multilocularis pyruvate kinase 0.0032 0.3314 0.597
Loa Loa (eye worm) hypothetical protein 0.0041 0.5561 0.5561
Echinococcus multilocularis lamin 0.0032 0.3492 0.6336
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.041 0.041
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.5274 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.041 0.041
Echinococcus multilocularis musashi 0.0032 0.3492 0.6336
Echinococcus multilocularis pyruvate kinase 0.002 0.0746 0.0691
Brugia malayi Latrophilin receptor protein 2 0.0019 0.041 0.041
Schistosoma mansoni intermediate filament proteins 0.0032 0.3492 0.5983
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.5274 0.5274
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.5274 0.5
Echinococcus granulosus pyruvate kinase 0.002 0.0746 0.0691
Echinococcus multilocularis pyruvate kinase 0.004 0.5274 1
Plasmodium vivax pyruvate kinase, putative 0.004 0.5274 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.3492 0.3492
Echinococcus granulosus pyruvate kinase 0.002 0.0746 0.0691
Trypanosoma brucei pyruvate kinase 1 0.004 0.5274 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.3492 0.3492
Echinococcus multilocularis pyruvate kinase 0.004 0.5274 1
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Leishmania major pyruvate kinase 0.004 0.5274 0.5
Brugia malayi intermediate filament protein 0.0032 0.3492 0.3492
Schistosoma mansoni lamin 0.0032 0.3492 0.5983

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0329 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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