Detailed information for compound 1431879
Basic information
Technical information
- TDR Targets ID: 1431879
- Name: 4-bromo-5-(4-methoxyphenoxy)-2-phenylpyridazi n-3-one
- MW: 373.201 | Formula: C17H13BrN2O3
-
H donors: 0
H acceptors: 1
LogP: 3.64
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)Oc1cnn(c(=O)c1Br)c1ccccc1
- InChi: 1S/C17H13BrN2O3/c1-22-13-7-9-14(10-8-13)23-15-11-19-20(17(21)16(15)18)12-5-3-2-4-6-12/h2-11H,1H3
- InChiKey: QWURXOMVQVPBSF-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-bromo-5-(4-methoxyphenoxy)-2-phenyl-pyridazin-3-one
- 4-bromo-5-(4-methoxyphenoxy)-2-phenyl-3-pyridazinone
- 4-bromo-5-(4-methoxyphenoxy)-2-phenyl-3(2H)-pyridazinone
- MLS000720559
- SMR000336319
- 5T-1487
- ZINC01393647
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.3725 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.4329 | 0.9472 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0028 | 0.1716 | 0.2518 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.005 | 0.5437 | 0.5437 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6352 | 0.6048 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.3725 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.4527 | 0.407 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.0028 | 0.1716 | 0.2518 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.4329 | 0.3855 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.4527 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.4527 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.6352 | 0.6048 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.4527 | 0.407 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.0028 | 0.1716 | 1 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.4329 | 0.3855 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.4527 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.005 | 0.5437 | 0.5056 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.4527 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1716 | 0.1025 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6352 | 0.6048 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0771 | 0.0771 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.4329 | 0.9472 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.6352 | 0.6352 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.4329 | 0.3855 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0771 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.4329 | 0.4329 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0028 | 0.1716 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0028 | 0.1716 | 0.2518 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.4527 | 0.4527 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.4527 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 1 | 1 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0771 | 0.5 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.6352 | 0.6048 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.4527 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.005 | 0.5437 | 0.5437 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.4527 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 1 | 1 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.4527 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0034 | 0.2728 | 0.212 |
| Schistosoma mansoni | hypothetical protein | 0.0034 | 0.2728 | 0.212 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.6352 | 0.6048 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0028 | 0.1716 | 0.2518 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.4527 | 0.407 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.6352 | 0.6048 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.4329 | 0.9472 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.005 | 0.5437 | 0.5056 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.4527 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.4527 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0028 | 0.1716 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.4527 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0034 | 0.2728 | 0.2728 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 1 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.6352 | 0.6048 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.0028 | 0.1716 | 0.2518 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.4527 | 0.407 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.4329 | 0.9472 |
| Brugia malayi | hypothetical protein | 0.0028 | 0.1716 | 0.1716 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6352 | 0.6048 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.4527 | 0.407 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.4329 | 0.3855 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | 67.525 uM | PubChem BioAssay. Counterscreen for agonists of the daf-12 abnormal Dauer Formation: Luminescence-based cell-based dose response screening assay to identify agonists of the Liver-X-Receptor (LXR). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.0282 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 22.3872 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 281.8383 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.
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
- ChEMBL: CHEMBL1576873
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.