Detailed information for compound 1705934
Basic information
Technical information
- Name: Unnamed compound
- MW: 491.599 | Formula: C28H29NO5S
-
H donors: 0
H acceptors: 2
LogP: 5.05
Rotable bonds: 10
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccccc1CN1[C@@H](/C=C/c2ccccc2)CC([C@H]1c1cccs1)(C(=O)OC)C(=O)OC
- InChi: 1S/C28H29NO5S/c1-32-23-13-8-7-12-21(23)19-29-22(16-15-20-10-5-4-6-11-20)18-28(26(30)33-2,27(31)34-3)25(29)24-14-9-17-35-24/h4-17,22,25H,18-19H2,1-3H3/b16-15+/t22-,25+/m0/s1
- InChiKey: WXJDOTHWCQOBRU-VYOVGOFPSA-N
Network
Hover on a compound node to display the structore
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 |
|---|---|---|---|---|
| Echinococcus granulosus | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin alpha chain | 0.0067 | 0.073 | 0.073 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit gamma | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 1C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 3 chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0155 | 1 | 1 |
| Plasmodium falciparum | alpha tubulin 1 | 0.0155 | 1 | 1 |
| Entamoeba histolytica | tubulin alpha chain, putative | 0.0155 | 1 | 0.5 |
| Loa Loa (eye worm) | BEN-1 protein | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Echinococcus granulosus | tubulin subunit TubB | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 3 chain | 0.0155 | 1 | 1 |
| Brugia malayi | beta-tubulin, identical | 0.0155 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Leishmania major | epsilon tubulin, putative | 0.0155 | 1 | 1 |
| Schistosoma mansoni | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus granulosus | peroxisome assembly protein 26 | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin epsilon chain | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin alpha-2 chain | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0155 | 1 | 1 |
| Mycobacterium tuberculosis | Cell division protein FtsZ | 0.0067 | 0.073 | 0.5 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Plasmodium falciparum | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin epsilon chain | 0.0155 | 1 | 1 |
| Toxoplasma gondii | tubulin/FtsZ family, GTPase domain-containing protein | 0.0155 | 1 | 1 |
| Giardia lamblia | Alpha-tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha-3 chain | 0.0067 | 0.073 | 0.073 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Trypanosoma brucei | tubulin gamma chain | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin beta 1 chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha 2 | 0.0087 | 0.2887 | 0.2887 |
| Echinococcus granulosus | tubulin alpha chain | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin alpha chain | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin, beta 4A class IVa | 0.0155 | 1 | 1 |
| Brugia malayi | alpha-tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Plasmodium falciparum | tubulin beta chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin beta 4A class IVa | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Leishmania major | gamma-tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 3 chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Plasmodium vivax | tubulin alpha chain, putative | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | beta-tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha 2 | 0.0087 | 0.2887 | 0.2887 |
| Echinococcus granulosus | tubulin alpha chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin beta 1 chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | alpha tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Entamoeba histolytica | tubulin alpha-1 chain | 0.0155 | 1 | 0.5 |
| Plasmodium falciparum | alpha tubulin 2 | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Trypanosoma brucei | epsilon tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 1C chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 3 chain | 0.0155 | 1 | 1 |
| Plasmodium falciparum | tubulin gamma chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0155 | 1 | 1 |
| Plasmodium vivax | tubulin alpha chain, putative | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0155 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 1C chain | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta-2A chain | 0.0155 | 1 | 1 |
| Toxoplasma gondii | beta tubulin | 0.0155 | 1 | 1 |
| Giardia lamblia | Beta tubulin | 0.0155 | 1 | 1 |
| Plasmodium vivax | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Toxoplasma gondii | beta-tubulin, putative | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin, putative | 0.0087 | 0.2887 | 0.2326 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Entamoeba histolytica | tubulin gamma chain | 0.0155 | 1 | 0.5 |
| Trypanosoma cruzi | alpha tubulin, putative | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0155 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | cell division protein FtsZ | 0.0067 | 0.073 | 0.5 |
| Trypanosoma brucei | beta tubulin | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta chain | 0.0067 | 0.073 | 0.073 |
| Trypanosoma cruzi | beta tubulin, putative | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin alpha-2 chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0155 | 1 | 1 |
| Giardia lamblia | Beta tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | beta tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Loa Loa (eye worm) | tubulin beta-1 chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha-2 chain | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0155 | 1 | 1 |
| Toxoplasma gondii | beta-1 tubulin, putative | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Trypanosoma cruzi | tubulin gamma chain | 0.0155 | 1 | 1 |
| Onchocerca volvulus | 0.0087 | 0.2887 | 0.5 | |
| Giardia lamblia | Alpha-tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | alpha-tubulin isotype 2 | 0.0087 | 0.2887 | 0.2887 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | beta tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Brugia malayi | Cell division protein ftsZ | 0.0067 | 0.073 | 0.073 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.073 | 0.073 |
| Mycobacterium ulcerans | cell division protein FtsZ | 0.0067 | 0.073 | 0.5 |
| Trichomonas vaginalis | tubulin, putative | 0.0087 | 0.2887 | 0.2326 |
| Trypanosoma brucei | epsilon tubulin | 0.0155 | 1 | 1 |
| Treponema pallidum | cell division protein FtsZ | 0.0067 | 0.073 | 0.5 |
| Echinococcus multilocularis | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin gamma 1 chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin subunit beta | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Entamoeba histolytica | tubulin family protein | 0.0155 | 1 | 0.5 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Trypanosoma brucei | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta chain | 0.0155 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Giardia lamblia | Gamma tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | hypothetical protein | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta-4 chain | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0087 | 0.2887 | 0.2887 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin gamma chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | BEN-1 protein | 0.0155 | 1 | 1 |
| Toxoplasma gondii | alpha tubulin TUBA1 | 0.0155 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin, putative | 0.0087 | 0.2887 | 0.2326 |
| Brugia malayi | tubulin alpha chain - mouse | 0.0155 | 1 | 1 |
| Plasmodium vivax | tubulin gamma chain, putative | 0.0155 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin subunit beta | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin subunit TubB | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | peroxisome assembly protein 26 | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 1C chain | 0.0155 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0155 | 1 | 1 |
| Giardia lamblia | Beta tubulin | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin beta-1 chain | 0.0155 | 1 | 1 |
| Mycobacterium leprae | cell division protein FtsZ | 0.0067 | 0.073 | 0.5 |
| Leishmania major | alpha tubulin | 0.0155 | 1 | 1 |
| Schistosoma mansoni | alpha tubulin | 0.0155 | 1 | 1 |
| Entamoeba histolytica | tubulin family protein | 0.0155 | 1 | 0.5 |
| Trichomonas vaginalis | tubulin, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | tubulin gamma 1 chain | 0.0155 | 1 | 1 |
| Trypanosoma cruzi | epsilon tubulin, putative | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin beta chain | 0.0067 | 0.073 | 0.073 |
| Loa Loa (eye worm) | alpha-tubulin | 0.0155 | 1 | 1 |
| Trypanosoma cruzi | epsilon tubulin, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | alpha tubulin | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0087 | 0.2887 | 0.2326 |
| Trypanosoma brucei | epsilon tubulin | 0.0155 | 1 | 1 |
| Toxoplasma gondii | alpha-tubulin I, putative | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0155 | 1 | 1 |
| Echinococcus granulosus | beta tubulin | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | tubulin gamma chain | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | beta tubulin | 0.0155 | 1 | 1 |
| Leishmania major | beta tubulin | 0.0155 | 1 | 1 |
| Plasmodium vivax | tubulin epsilon chain, putative | 0.0155 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0155 | 1 | 1 |
| Loa Loa (eye worm) | alpha-tubulin | 0.0155 | 1 | 1 |
| Echinococcus multilocularis | Tubulin beta 2C chain | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit beta | 0.0155 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0155 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit epsilon | 0.0155 | 1 | 1 |
| Brugia malayi | Tubulin beta chain | 0.0087 | 0.2887 | 0.2887 |
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) | 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: CHEMBL2141582
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.