Detailed information for compound 1445624
Basic information
Technical information
- TDR Targets ID: 1445624
- Name: N-(6-methylpyridin-2-yl)-9H-xanthene-9-carbox amide
- MW: 316.353 | Formula: C20H16N2O2
-
H donors: 1
H acceptors: 2
LogP: 3.66
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1cccc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2
- InChi: 1S/C20H16N2O2/c1-13-7-6-12-18(21-13)22-20(23)19-14-8-2-4-10-16(14)24-17-11-5-3-9-15(17)19/h2-12,19H,1H3,(H,21,22,23)
- InChiKey: YVHYOAVCZAADHI-UHFFFAOYSA-N
Network
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Synonyms
- N-(6-methyl-2-pyridyl)-9H-xanthene-9-carboxamide
- Oprea1_239137
- ZINC00851844
- ST5247130
- MLS000708875
- SMR000289642
- 9H-Xanthene-9-carboxylic acid (6-methyl-pyridin-2-yl)-amide
- BAS 01130664
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glucosidase, beta, acid | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | synuclein, alpha (non A4 component of amyloid precursor) | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Pre-SET motif family protein | 0.0232 | 0.6955 | 0.6955 |
| Toxoplasma gondii | ubiquitin-conjugating enzyme subfamily protein | 0.0239 | 0.7202 | 0.5 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0216 | 0.631 | 0.1027 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0265 | 0.8186 | 0.5589 |
| Trypanosoma brucei | ubiquitin-protein ligase, putative | 0.0239 | 0.7202 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0349 | 0.0349 |
| Schistosoma mansoni | ubiquitin conjugating enzyme 13 | 0.0239 | 0.7202 | 1 |
| Loa Loa (eye worm) | ubiquitin conjugating enzyme protein 13 | 0.0239 | 0.7202 | 0.7202 |
| Brugia malayi | ubiquitin conjugating enzyme protein 13 | 0.0239 | 0.7202 | 0.7202 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0216 | 0.631 | 0.1027 |
| Trichomonas vaginalis | ubiquitin-conjugating enzyme E2, putative | 0.0239 | 0.7202 | 0.3197 |
| Brugia malayi | Ubiquitin conjugating enzyme protein 13 | 0.0239 | 0.7202 | 0.7202 |
| Onchocerca volvulus | 0.0265 | 0.8186 | 1 | |
| Echinococcus multilocularis | ubiquitin conjugating enzyme E2 N | 0.0239 | 0.7202 | 1 |
| Trichomonas vaginalis | ubiquitin-conjugating enzyme E2, putative | 0.0239 | 0.7202 | 0.3197 |
| Trypanosoma cruzi | ubiquitin-conjugating enzyme E2, putative | 0.0239 | 0.7202 | 1 |
| Plasmodium vivax | ubiquitin-conjugating enzyme E2 N, putative | 0.0239 | 0.7202 | 0.5 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0349 | 0.0349 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0349 | 0.0349 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0232 | 0.6955 | 0.6955 |
| Loa Loa (eye worm) | ubiquitin conjugating enzyme protein 13 | 0.0239 | 0.7202 | 0.7202 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Entamoeba histolytica | ubiquitin-conjugating enzyme family protein | 0.0239 | 0.7202 | 0.5 |
| Echinococcus granulosus | ubiquitin conjugating enzyme E2 N | 0.0239 | 0.7202 | 1 |
| Loa Loa (eye worm) | O-glycosyl hydrolase family 30 protein | 0.0312 | 1 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Trypanosoma cruzi | ubiquitin-conjugating enzyme E2, putative | 0.0239 | 0.7202 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0349 | 0.0349 |
| Plasmodium falciparum | ubiquitin-conjugating enzyme E2 N, putative | 0.0239 | 0.7202 | 0.5 |
| Leishmania major | ubiquitin-conjugating enzyme e2, putative | 0.0239 | 0.7202 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] | ChEMBL. | No reference |
| Potency (functional) | 18.3489 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 70.7946 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 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| 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: CHEMBL1598702
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.