Detailed information for compound 1704889
Basic information
Technical information
- Name: Unnamed compound
- MW: 490.591 | Formula: C29H34N2O5
-
H donors: 0
H acceptors: 3
LogP: 3.18
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)[C@@]12CCCCC=C2N(C(=O)[C@@H](C1)CC(=O)N1CCOCC1)Cc1cccc2c1cccc2
- InChi: 1S/C29H34N2O5/c1-35-28(34)29-13-6-2-3-12-25(29)31(20-22-10-7-9-21-8-4-5-11-24(21)22)27(33)23(19-29)18-26(32)30-14-16-36-17-15-30/h4-5,7-12,23H,2-3,6,13-20H2,1H3/t23-,29+/m1/s1
- InChiKey: VPBZJQNQWMFNTM-BTYSJIOQSA-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 | 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 |
|---|---|---|---|---|
| Entamoeba histolytica | type A flavoprotein, putative | 0.0045 | 0 | 0.5 |
| Plasmodium falciparum | nitric oxide synthase, putative | 0.0117 | 1 | 1 |
| Treponema pallidum | flavodoxin | 0.0045 | 0 | 0.5 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0117 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.2115 | 0.2115 |
| Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0117 | 1 | 1 |
| Toxoplasma gondii | flavodoxin domain-containing protein | 0.0058 | 0.1841 | 0.5 |
| Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0117 | 1 | 1 |
| Toxoplasma gondii | flavodoxin domain-containing protein | 0.0058 | 0.1841 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0117 | 1 | 1 |
| Schistosoma mansoni | cytochrome P450 reductase | 0.0117 | 1 | 1 |
| Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0117 | 1 | 1 |
| Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0072 | 0.3805 | 0.2407 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0045 | 0 | 0.5 |
| Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0059 | 0.1964 | 0.0151 |
| Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0117 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0117 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0045 | 0 | 0.5 |
| Trypanosoma cruzi | p450 reductase, putative | 0.0117 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.2115 | 0.2115 |
| Trichomonas vaginalis | NADPH fad oxidoreductase, putative | 0.0104 | 0.8159 | 0.8159 |
| Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0117 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.0104 | 0.8159 | 0.5 |
| Chlamydia trachomatis | sulfite reductase | 0.0072 | 0.3805 | 0.5 |
| Brugia malayi | FAD binding domain containing protein | 0.0072 | 0.3805 | 0.3805 |
| Trichomonas vaginalis | sulfite reductase, putative | 0.0117 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0117 | 1 | 1 |
| Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0117 | 1 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.2115 | 0.2115 |
| Leishmania major | cytochrome P450 reductase, putative | 0.0104 | 0.8159 | 0.8159 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0045 | 0 | 0.5 |
| Giardia lamblia | Nitric oxide synthase, inducible | 0.0104 | 0.8159 | 0.5 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0072 | 0.3805 | 0.3805 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0045 | 0 | 0.5 |
| Plasmodium vivax | flavodoxin domain containing protein | 0.0104 | 0.8159 | 0.8159 |
| Brugia malayi | FAD binding domain containing protein | 0.0117 | 1 | 1 |
| Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0117 | 1 | 1 |
| Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0117 | 1 | 1 |
| Leishmania major | p450 reductase, putative | 0.0117 | 1 | 1 |
| Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0117 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.2115 | 0.2115 |
| Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0117 | 1 | 1 |
| Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0117 | 1 | 0.5 |
| Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0117 | 1 | 1 |
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 |
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: CHEMBL2138191
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.