Detailed information for compound 1299697

Basic information

Technical information
  • TDR Targets ID: 1299697
  • Name: 2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]-N- pyridin-3-ylacetamide
  • MW: 401.375 | Formula: C21H15N5O4
  • H donors: 1 H acceptors: 5 LogP: 2.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nc(c2cccc(c2)[N+](=O)[O-])c2c(c1=O)cccc2)Nc1cccnc1
  • InChi: 1S/C21H15N5O4/c27-19(23-15-6-4-10-22-12-15)13-25-21(28)18-9-2-1-8-17(18)20(24-25)14-5-3-7-16(11-14)26(29)30/h1-12H,13H2,(H,23,27)
  • InChiKey: VSDZRKMRBJKBRC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(3-nitrophenyl)-1-oxo-phthalazin-2-yl]-N-(3-pyridyl)acetamide
  • 2-[4-(3-nitrophenyl)-1-oxo-2-phthalazinyl]-N-(3-pyridyl)acetamide
  • 2-[1-keto-4-(3-nitrophenyl)phthalazin-2-yl]-N-(3-pyridyl)acetamide
  • 2-[4-(3-nitrophenyl)-1-oxo-phthalazin-2-yl]-N-pyridin-3-yl-ethanamide
  • MLS000536394
  • SMR000143431
  • ZINC01114939
  • 2-[4-(3-nitrophenyl)-1-oxo-2(1H)-phthalazinyl]-N-3-pyridinylacetamide
  • STOCK5S-10124

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
Schistosoma mansoni zinc finger protein 0.0021 0.0224 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2786 0.6798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.2786 0.7369
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.3781 1
Echinococcus granulosus zinc finger protein 0.0021 0.0224 0.0592
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.4758 0.4758
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.2786 0.2786
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.2786 0.7369
Schistosoma mansoni bromodomain containing protein 0.0068 0.4098 1
Brugia malayi Bromodomain containing protein 0.0041 0.1884 0.1276
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.2786 0.7369
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0487 0.1188
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0317 0.0317
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.1674 0.4427
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0487 0.1287
Loa Loa (eye worm) hypothetical protein 0.0046 0.2269 0.2269
Onchocerca volvulus Huntingtin homolog 0.014 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.3781 1
Onchocerca volvulus Huntingtin homolog 0.014 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.2786 0.7369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2786 0.6798
Loa Loa (eye worm) hypothetical protein 0.0041 0.189 0.189
Schistosoma mansoni hypothetical protein 0.0022 0.0317 0.0774
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0487 0.1287
Loa Loa (eye worm) hypothetical protein 0.0044 0.21 0.21
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.1674 0.4427
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.2786 0.2246
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0054 0.0054
Brugia malayi Bromodomain containing protein 0.0081 0.5137 0.4773
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2786 0.6798
Echinococcus multilocularis zinc finger protein 0.0021 0.0224 0.0592

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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 (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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