Detailed information for compound 1549809
Basic information
Technical information
- TDR Targets ID: 1549809
- Name: MLS001010905
- MW: 514.567 | Formula: C27H34N2O8
-
H donors: 0
H acceptors: 3
LogP: 2.16
Rotable bonds: 12
Rule of 5 violations (Lipinski): 2 - SMILES: COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)c1cc(n(c1C)CC1CCCO1)C
- InChi: 1S/C27H34N2O8/c1-18-13-22(19(2)29(18)15-21-5-4-10-35-21)23(30)16-37-27(32)20-6-7-24(25(14-20)33-3)36-17-26(31)28-8-11-34-12-9-28/h6-7,13-14,21H,4-5,8-12,15-17H2,1-3H3
- InChiKey: IAUYJOXOOCICAX-UHFFFAOYSA-N
Network
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Synonyms
- SMR000352945
- T5260353
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | cytidine deaminase | 0.0185 | 1 | 0.5 |
| Echinococcus multilocularis | cytidine deaminase | 0.0185 | 1 | 0.5 |
| Onchocerca volvulus | 0.0185 | 1 | 0.5 | |
| Entamoeba histolytica | cytidine deaminase, putative | 0.0185 | 1 | 0.5 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1324 | 0.1324 |
| Mycobacterium ulcerans | cytidine deaminase | 0.0185 | 1 | 0.5 |
| Trypanosoma cruzi | cytidine deaminase-like protein, putative | 0.0185 | 1 | 0.5 |
| Trichomonas vaginalis | cytidine deaminase, putative | 0.0185 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1324 | 1 |
| Trichomonas vaginalis | cytidine deaminase, putative | 0.0185 | 1 | 0.5 |
| Echinococcus granulosus | cytidine deaminase | 0.0185 | 1 | 0.5 |
| Leishmania major | cytidine deaminase-like protein | 0.0185 | 1 | 0.5 |
| Trypanosoma cruzi | cytidine deaminase-like protein | 0.0185 | 1 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1324 | 1 |
| Giardia lamblia | Cytidine deaminase | 0.0185 | 1 | 0.5 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1324 | 0.1324 |
| Toxoplasma gondii | cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein | 0.0185 | 1 | 0.5 |
| Onchocerca volvulus | 0.0185 | 1 | 0.5 | |
| Mycobacterium tuberculosis | Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) | 0.0185 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0 | 0.5 |
| Mycobacterium leprae | PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) | 0.0185 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 63.0957 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | 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: CHEMBL1900312
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.