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 |
| Treponema pallidum | ribonuclease H (rnhA) | 0.0047 | 0.1571 | 1 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.1133 | 0.5 |
| Leishmania major | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Trypanosoma brucei | metallo- peptidase, Clan M- Family M48 | 0.0082 | 0.3899 | 0.3899 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.3695 |
| Onchocerca volvulus | Ribonuclease H1 homolog | 0.0047 | 0.1571 | 0.5 |
| Entamoeba histolytica | CAAX prenyl protease, putative | 0.0082 | 0.3899 | 1 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0027 | 0.0287 | 0.0737 |
| Schistosoma mansoni | farnesylated-protein converting enzyme 1 (M48 family) | 0.0082 | 0.3899 | 0.3899 |
| Leishmania major | CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 | 0.0082 | 0.3899 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.3695 |
| Brugia malayi | RNase H family protein | 0.0047 | 0.1571 | 0.4029 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Brugia malayi | Peptidase family M48 containing protein | 0.0082 | 0.3899 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.1441 | 0.9173 |
| Trypanosoma cruzi | metallo- peptidase, Clan M- Family M48 | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase | 0.0082 | 0.3899 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1441 | 0.1441 |
| Trypanosoma cruzi | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Trypanosoma cruzi | CAAX prenyl protease 1, putative | 0.0082 | 0.3899 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.1441 | 0.3695 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1441 | 0.1441 |
| Trypanosoma brucei | unspecified product | 0.0051 | 0.1831 | 0.1831 |
| Trypanosoma brucei | retrotransposon hot spot protein 4 (RHS4), interrupted | 0.0051 | 0.1831 | 0.1831 |
| Trypanosoma cruzi | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.1441 | 0.3695 |
| Echinococcus multilocularis | ribonuclease H1 | 0.0047 | 0.1571 | 0.4029 |
| Wolbachia endosymbiont of Brugia malayi | ribonuclease HI | 0.0047 | 0.1571 | 1 |
| Echinococcus multilocularis | caax prenyl protease 1 | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
| Echinococcus granulosus | caax prenyl protease 1 | 0.0082 | 0.3899 | 1 |
| Trypanosoma brucei | ingi protein (ORF1) | 0.0051 | 0.1831 | 0.1831 |
| Brugia malayi | RNase H family protein | 0.0047 | 0.1571 | 0.4029 |
| Giardia lamblia | Ribonuclease H | 0.0047 | 0.1571 | 1 |
| Echinococcus granulosus | ribonuclease H1 | 0.0047 | 0.1571 | 0.4029 |
| Schistosoma mansoni | phosphoglucomutase | 0.0047 | 0.1571 | 0.1571 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1441 | 0.1441 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0 | 0.5 |
| Trypanosoma brucei | ribonuclease H1 | 0.0047 | 0.1571 | 0.1571 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.1441 | 0.3695 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.1441 | 0.3695 |
| Trichomonas vaginalis | ribonuclease H1, putative | 0.0047 | 0.1571 | 0.4029 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.1441 | 0.3695 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 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 |
| Trichomonas vaginalis | Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase | 0.0082 | 0.3899 | 1 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.1133 | 1 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0 | 0.5 |
| Trypanosoma brucei | RNA helicase, putative | 0.0175 | 1 | 1 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.1441 | 1 |
| Loa Loa (eye worm) | peptidase family M48 containing protein | 0.0082 | 0.3899 | 1 |
| Toxoplasma gondii | CAAX metallo endopeptidase | 0.0082 | 0.3899 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0027 | 0.0287 | 0.0737 |
| Toxoplasma gondii | ribonuclease HI protein | 0.0047 | 0.1571 | 0.4029 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0051 | 0.1831 | 0.1831 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.1441 | 0.3695 |
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.