Detailed information for compound 1851259
Basic information
Technical information
- TDR Targets ID: 1851259
- Name: 7-methoxy-2-(4-methoxyphenyl)-1H-pyrazolo[4,5 -c]quinolin-3-one
- MW: 321.33 | Formula: C18H15N3O3
-
H donors: 1
H acceptors: 2
LogP: 3.1
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)n1[nH]c2c(c1=O)cnc1c2ccc(c1)OC
- InChi: 1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
- InChiKey: CGOOCGJMECBDCB-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | GABA-A receptor; anion channel | Starlite/ChEMBL | References |
| Homo sapiens | gamma-aminobutyric acid (GABA) A receptor, gamma 2 | Starlite/ChEMBL | References |
| Homo sapiens | gamma-aminobutyric acid (GABA) A receptor, beta 3 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Brugia malayi | gamma-aminobutyric-acid receptor beta subunit precursor | Get druggable targets OG5_129441 | All targets in OG5_129441 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_129441 | All targets in OG5_129441 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_131775 | All targets in OG5_131775 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_129441 | All targets in OG5_129441 |
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 | Conserved protein | 0.0658 | 0.1109 | 0.5 |
| Echinococcus multilocularis | glutaminyl peptide cyclotransferase | 0.4134 | 1 | 1 |
| Brugia malayi | leucyl aminopeptidase | 0.0658 | 0.1109 | 0.1053 |
| Mycobacterium ulcerans | lipoprotein aminopeptidase LpqL | 0.0658 | 0.1109 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0658 | 0.1109 | 0.1109 |
| Brugia malayi | FXNA | 0.0658 | 0.1109 | 0.1053 |
| Loa Loa (eye worm) | hypothetical protein | 0.0658 | 0.1109 | 0.1109 |
| Toxoplasma gondii | hypothetical protein | 0.0658 | 0.1109 | 0.5 |
| Leishmania major | glutaminyl cyclase, putative | 0.0658 | 0.1109 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0658 | 0.1109 | 0.5 |
| Onchocerca volvulus | Glutaminyl cyclase homolog | 0.4134 | 1 | 1 |
| Schistosoma mansoni | glutaminyl cyclase (M28 family) | 0.4134 | 1 | 1 |
| Brugia malayi | nicalin | 0.0658 | 0.1109 | 0.1053 |
| Trypanosoma cruzi | glutaminyl cyclase, putative | 0.0658 | 0.1109 | 0.5 |
| Trypanosoma cruzi | glutaminyl cyclase, putative | 0.0658 | 0.1109 | 0.5 |
| Toxoplasma gondii | peptidase, M28 family protein | 0.0658 | 0.1109 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0658 | 0.1109 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0658 | 0.1109 | 0.5 |
| Echinococcus granulosus | glutaminyl peptide cyclotransferase | 0.4134 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.4134 | 1 | 1 |
| Loa Loa (eye worm) | leucyl aminopeptidase | 0.0658 | 0.1109 | 0.1109 |
| Loa Loa (eye worm) | hypothetical protein | 0.0249 | 0.0062 | 0.0062 |
| Loa Loa (eye worm) | hypothetical protein | 0.0658 | 0.1109 | 0.1109 |
| Mycobacterium tuberculosis | Probable lipoprotein aminopeptidase LpqL | 0.0658 | 0.1109 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0658 | 0.1109 | 0.1109 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0658 | 0.1109 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0658 | 0.1109 | 0.5 |
| Trypanosoma brucei | glutaminyl cyclase, putative | 0.0658 | 0.1109 | 0.5 |
| Trichomonas vaginalis | Clan MH, family M28, aminopeptidase S-like metallopeptidase | 0.0658 | 0.1109 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0423 | 0.0508 | 0.0508 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 0.34 nM | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2 | ChEMBL. | 10633039 |
| Ki (binding) | = 0.4 nM | Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric-acid A receptor in rat cerebellum. | ChEMBL. | 7752192 |
| Ki (binding) | = 0.52 nM | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2 | ChEMBL. | 10633039 |
| Ki (binding) | = 0.79 nM | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2 | ChEMBL. | 10633039 |
| Ki (binding) | = 10 nM | Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric-acid A receptor | ChEMBL. | 7752192 |
| Ki (binding) | = 10 nM | Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2 | ChEMBL. | 10633039 |
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: CHEMBL3144610
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.