Detailed information for compound 1264155
Basic information
Technical information
- Name: Unnamed compound
- MW: 404.419 | Formula: C22H20N4O4
-
H donors: 2
H acceptors: 4
LogP: 2.6
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(c1=O)CC
- InChi: 1S/C22H20N4O4/c1-3-17-23-15-11-7-5-9-13(15)21(29)26(17)24-20(28)18-19(27)14-10-6-8-12-16(14)25(4-2)22(18)30/h5-12,27H,3-4H2,1-2H3,(H,24,28)
- InChiKey: LJFRLMPOJDPLDI-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 |
|---|---|---|---|
| Homo sapiens | synuclein, alpha (non A4 component of amyloid precursor) | Starlite/ChEMBL | No references |
| Saccharomyces cerevisiae | ribosomal 60S subunit protein L19B | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Trypanosoma brucei | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Giardia lamblia | Ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Trypanosoma cruzi | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Entamoeba histolytica | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Trichomonas vaginalis | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Leishmania major | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Entamoeba histolytica | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Echinococcus granulosus | ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Echinococcus multilocularis | ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Trypanosoma cruzi | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Trypanosoma brucei | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Trypanosoma cruzi | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Plasmodium falciparum | 60S ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Leishmania major | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Trichomonas vaginalis | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Echinococcus granulosus | ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Trypanosoma cruzi | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Trichomonas vaginalis | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Echinococcus multilocularis | ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
| Toxoplasma gondii | ribosomal protein RPL19 | 0.0032 | 0.5 | 0.5 |
| Trichomonas vaginalis | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Plasmodium vivax | 60S ribosomal protein L19, putative | 0.0032 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.5 | 0.5 |
| Schistosoma mansoni | 60S ribosomal protein L19 | 0.0032 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AbsAC1000_uM (functional) | = 5.74 uM | PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] | ChEMBL. | No reference |
| AbsAC40_uM (functional) | 2.09 uM | PubChem BioAssay. In vivo-based yeast HTS counterscreen to detect compounds rescuing yeast growth/survival of Saccharomyces cerevisiae SKN7-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| EC50 (functional) | = 7.439 uM | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomyces cerevisiae specifically RPL19A based on MLPCN hits. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1908, AID488814, AID488818] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 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) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 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) | 70.7946 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) | 100 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 |
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: CHEMBL1361778
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.