Detailed information for compound 255000

Basic information

Technical information
  • TDR Targets ID: 255000
  • Name: 10-nitropyrido[3,2-a]phenoxazin-5-one
  • MW: 293.234 | Formula: C15H7N3O4
  • H donors: 0 H acceptors: 4 LogP: 1.99 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc2oc3ccc(cc3nc2c2c1nccc2)[N+](=O)[O-]
  • InChi: 1S/C15H7N3O4/c19-11-7-13-15(9-2-1-5-16-14(9)11)17-10-6-8(18(20)21)3-4-12(10)22-13/h1-7H
  • InChiKey: OTUQYIKSZWZJCY-UHFFFAOYSA-N  

Network

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Synonyms

  • 10-nitro-5-pyrido[3,2-a]phenoxazinone

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
Onchocerca volvulus 0.0169 0.0093 0.0473
Echinococcus multilocularis Tolloid protein 1 0.1351 1 1
Brugia malayi gamma-secretase subunit aph-1 0.0242 0.0702 0.3019
Brugia malayi astacin protease protein 30 0.0169 0.0093 0.0398
Loa Loa (eye worm) hypothetical protein 0.0392 0.1957 0.1957
Brugia malayi Matrixin family protein 0.0212 0.0446 0.1919
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0318 0.134 0.0686
Loa Loa (eye worm) DPY-31 protein 0.0169 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0169 0.0093 0.0093
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1351 1 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0318 0.134 0.0686
Toxoplasma gondii calcium binding egf domain-containing protein 0.0436 0.2325 0.5
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0169 0.0093 0.0093
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0392 0.1957 0.8416
Loa Loa (eye worm) AStacin protease 0.0845 0.5754 0.5754
Brugia malayi Nematode astacin protease protein 30 0.0169 0.0093 0.0398
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0392 0.1957 0.1957
Loa Loa (eye worm) matrixin family protein 0.0194 0.0299 0.0299
Echinococcus multilocularis fibrillin 1 0.0436 0.2325 0.1745
Brugia malayi Fibulin-1 precursor 0.0436 0.2325 1
Brugia malayi Calcium binding EGF domain containing protein 0.0436 0.2325 1
Echinococcus granulosus laminin 0.0436 0.2325 0.1745
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1351 1 1
Loa Loa (eye worm) hypothetical protein 0.1296 0.9539 0.9539
Loa Loa (eye worm) hypothetical protein 0.055 0.3285 0.3285
Brugia malayi Nematode astacin protease protein 30 0.0169 0.0093 0.0398
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0169 0.0093 0.0398
Toxoplasma gondii calcium binding egf domain-containing protein 0.0436 0.2325 0.5
Loa Loa (eye worm) hypothetical protein 0.0436 0.2325 0.2325
Loa Loa (eye worm) matrixin family protein 0.0212 0.0446 0.0446
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0169 0.0093 0.0398
Loa Loa (eye worm) hypothetical protein 0.0392 0.1957 0.1957
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0242 0.0702 0.0702
Echinococcus multilocularis laminin 0.0436 0.2325 0.1745
Schistosoma mansoni egf-like domain protein 0.0392 0.1957 0.1349
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0436 0.2325 0.2325
Onchocerca volvulus Matrix metalloproteinase homolog 0.0194 0.0299 0.1529
Onchocerca volvulus Matrilysin homolog 0.0194 0.0299 0.1529
Onchocerca volvulus Arrow homolog 0.0392 0.1957 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.001 uM Antitumor activity against human splenic B-lymphoblastoid Wil-NS cells. ChEMBL. 12431049
IC50 (functional) = 0.001 uM Antitumor activity against human renal adenocarcinoma ACHN cells. ChEMBL. 12431049
IC50 (functional) = 0.001 uM Antitumor activity against human renal adenocarcinoma ACHN cells. ChEMBL. 12431049
IC50 (functional) = 0.002 uM Antitumor activity against human acute B-lymphoblastic CCRF-SB leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.002 uM Antitumor activity against human acute B-lymphoblastic CCRF-SB leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.003 uM Antitumor activity against human bladder carcinoma 5637 cells. ChEMBL. 12431049
IC50 (functional) = 0.003 uM Antitumor activity against human bladder carcinoma 5637 cells. ChEMBL. 12431049
IC50 (functional) = 0.004 uM Antitumor activity against human acute T-lymphoblastic MOLT-4 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.004 uM Antitumor activity against human acute T-lymphoblastic MOLT-4 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.007 uM Antitumor activity against human acute T-lymphoblastic CCRF-CEM leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.007 uM Antitumor activity against human acute T-lymphoblastic CCRF-CEM leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.01 uM Antitumor activity against CD4+ human acute T-lymphoblastic MT-4 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.01 uM Antitumor activity against human breast adenocarcinoma MCF-7 cells. ChEMBL. 12431049
IC50 (functional) = 0.01 uM Antitumor activity against CD4+ human acute T-lymphoblastic MT-4 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.01 uM Antitumor activity against human breast adenocarcinoma MCF-7 cells. ChEMBL. 12431049
IC50 (functional) = 0.05 uM Antitumor activity against human skin melanoma G361 cells. ChEMBL. 12431049
IC50 (functional) = 0.05 uM Antitumor activity against human skin melanoma G361 cells. ChEMBL. 12431049
IC50 (functional) = 0.1 uM Antitumor activity against CD4+ human acute T-lymphoblastic C8166 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.1 uM Antitumor activity against CD4+ human acute T-lymphoblastic C8166 leukemia cells. ChEMBL. 12431049
IC50 (functional) = 0.15 uM Antitumor activity against human Burkitt lymphoma Raji cells. ChEMBL. 12431049
IC50 (functional) = 0.15 uM Antitumor activity against human Burkitt lymphoma Raji cells. ChEMBL. 12431049
IC50 (functional) = 0.2 uM Antitumor activity against human colon adenocarcinoma HT-29 cells. ChEMBL. 12431049
IC50 (functional) = 0.2 uM Antitumor activity against human colon adenocarcinoma HT-29 cells. ChEMBL. 12431049
IC50 (functional) = 0.3 uM Antitumor activity against HeLa cervical carcinoma cells. ChEMBL. 12431049
IC50 (functional) = 0.3 uM Antitumor activity against HeLa cervical carcinoma cells. ChEMBL. 12431049
IC50 (functional) = 0.4 uM Antitumor activity against Hep-2 larynx carcinoma cells. ChEMBL. 12431049
IC50 (functional) = 0.4 uM Antitumor activity against Hep-2 larynx carcinoma cells. ChEMBL. 12431049
IC50 (functional) = 0.6 uM Antitumor activity against human hepatocellular carcinoma HepG-2 cells. ChEMBL. 12431049
IC50 (functional) = 0.6 uM Antitumor activity against human hepatocellular carcinoma HepG-2 cells. ChEMBL. 12431049

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12431049

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

1 literature reference was collected for this gene.

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