Detailed information for compound 374333
Basic information
Technical information
- TDR Targets ID: 374333
- Name: 8-methoxy-4-oxo-1H-quinoline-3-carboxylic aci d
- MW: 219.193 | Formula: C11H9NO4
-
H donors: 2
H acceptors: 4
LogP: 1.88
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cccc2c1ncc(c2O)C(=O)O
- InChi: 1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)12-5-7(10(6)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
- InChiKey: CDGYPATWKVOBIY-UHFFFAOYSA-N
Network
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Synonyms
- 4-keto-8-methoxy-1H-quinoline-3-carboxylic acid
- 35975-69-0
- 28027-18-1
- CBMicro_035748
- BIM-0035785.P001
- Oprea1_381729
- Oprea1_000934
- AF-399/25108050
- MLS000067353
- SMR000124850
- NSC199383
- EU-0042261
- NSC80676
- ZERO/009614
- BAS 01120105
- SBB011405
- 8-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Saccharomyces cerevisiae | Ste24p | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | 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 |
|---|---|---|---|---|
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.3695 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1441 | 0.1441 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0051 | 0.1831 | 0.1831 |
| Brugia malayi | RNase H family protein | 0.0047 | 0.1571 | 0.4029 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma brucei | RNA helicase, putative | 0.0175 | 1 | 1 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.1441 | 0.3695 |
| Brugia malayi | RNase H family protein | 0.0047 | 0.1571 | 0.4029 |
| Trypanosoma brucei | ingi protein (ORF1) | 0.0051 | 0.1831 | 0.1831 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.1441 | 0.3695 |
| Brugia malayi | RNase H family protein | 0.0047 | 0.1571 | 0.4029 |
| Entamoeba histolytica | CAAX prenyl protease, putative | 0.0082 | 0.3899 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.1441 | 0.3695 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma cruzi | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Trypanosoma brucei | retrotransposon hot spot protein 4 (RHS4), interrupted | 0.0051 | 0.1831 | 0.1831 |
| Echinococcus granulosus | caax prenyl protease 1 | 0.0082 | 0.3899 | 1 |
| Trypanosoma brucei | unspecified product | 0.0051 | 0.1831 | 0.1831 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.1133 | 0.5 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma cruzi | metallo- peptidase, Clan M- Family M48 | 0.0082 | 0.3899 | 1 |
| Trypanosoma cruzi | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Echinococcus multilocularis | ribonuclease H1 | 0.0047 | 0.1571 | 0.4029 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.1133 | 1 |
| Leishmania major | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Trichomonas vaginalis | Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Trichomonas vaginalis | Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase | 0.0082 | 0.3899 | 1 |
| Trypanosoma brucei | ribonuclease H1 | 0.0047 | 0.1571 | 0.1571 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.1441 | 1 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.3695 |
| Trypanosoma brucei | metallo- peptidase, Clan M- Family M48 | 0.0082 | 0.3899 | 0.3899 |
| Echinococcus multilocularis | caax prenyl protease 1 | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0027 | 0.0287 | 0.0737 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.1441 |
| Schistosoma mansoni | farnesylated-protein converting enzyme 1 (M48 family) | 0.0082 | 0.3899 | 0.3899 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0 | 0.5 |
| Trypanosoma brucei | ingi protein (ORF1) | 0.0051 | 0.1831 | 0.1831 |
| Treponema pallidum | ribonuclease H (rnhA) | 0.0047 | 0.1571 | 1 |
| Toxoplasma gondii | ribonuclease HI protein | 0.0047 | 0.1571 | 0.4029 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0 | 0.5 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Onchocerca volvulus | Ribonuclease H1 homolog | 0.0047 | 0.1571 | 0.5 |
| Loa Loa (eye worm) | peptidase family M48 containing protein | 0.0082 | 0.3899 | 1 |
| Leishmania major | CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 | 0.0082 | 0.3899 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1441 | 0.1441 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.1441 | 0.9173 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Echinococcus granulosus | ribonuclease H1 | 0.0047 | 0.1571 | 0.4029 |
| Toxoplasma gondii | CAAX metallo endopeptidase | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0027 | 0.0287 | 0.0737 |
| Brugia malayi | Peptidase family M48 containing protein | 0.0082 | 0.3899 | 1 |
| Trypanosoma cruzi | CAAX prenyl protease 1, putative | 0.0082 | 0.3899 | 1 |
| Wolbachia endosymbiont of Brugia malayi | ribonuclease HI | 0.0047 | 0.1571 | 1 |
| Giardia lamblia | Ribonuclease H | 0.0047 | 0.1571 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (binding) | = 6.845 uM | PUBCHEM_BIOASSAY: Ste24 Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-03_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] | ChEMBL. | No reference |
| AC50 (binding) | = 35.97 uM | PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] | ChEMBL. | No reference |
| AC50 (binding) | = 64.05 uM | PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] | ChEMBL. | No reference |
| Activity (binding) | = 92 % | Residual activity of human CK2 at 30 uM | ChEMBL. | 17064064 |
| Activity (binding) | = 92 % | Residual activity of human CK2 at 30 uM | ChEMBL. | 17064064 |
| Potency (functional) | 0.0355 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 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) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 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 |
| Potency (functional) | 22.3872 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 |
| Potency (functional) | 22.3872 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | 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) | = 31.6228 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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 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) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | 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: CHEMBL217920
- PubChem: 255290
- Search by Saint Jude
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.