Detailed information for compound 1614298
Basic information
Technical information
- Name: Unnamed compound
- MW: 395.452 | Formula: C22H25N3O4
-
H donors: 2
H acceptors: 3
LogP: 1.97
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: CC(=O)Nc1cccc(c1)c1ccnc2c1CC(O2)C(=O)NCC1CCOCC1
- InChi: 1S/C22H25N3O4/c1-14(26)25-17-4-2-3-16(11-17)18-5-8-23-22-19(18)12-20(29-22)21(27)24-13-15-6-9-28-10-7-15/h2-5,8,11,15,20H,6-7,9-10,12-13H2,1H3,(H,24,27)(H,25,26)
- InChiKey: ULLOAWRHWZNMHB-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 | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | 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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.5654 | 0.5654 |
| Trichomonas vaginalis | protein arginine N-methyltransferase, putative | 0.0059 | 0.5452 | 1 |
| Schistosoma mansoni | protein arginine N-methyltransferase 1 | 0.0059 | 0.5452 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.5654 | 0.5654 |
| Schistosoma mansoni | protein arginine N-methyltransferase 1 | 0.0059 | 0.5452 | 1 |
| Echinococcus granulosus | protein arginine methyltransferase | 0.0059 | 0.5452 | 1 |
| Plasmodium vivax | protein arginine N-methyltransferase 1, putative | 0.0059 | 0.5452 | 1 |
| Leishmania major | arginine N-methyltransferase-like protein | 0.0059 | 0.5452 | 1 |
| Leishmania major | arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 | 0.0033 | 0.1925 | 0.3531 |
| Echinococcus granulosus | histone arginine methyltransferase CARMER | 0.0033 | 0.1925 | 0.3531 |
| Toxoplasma gondii | histone arginine methyltransferase PRMT4/CARM1 | 0.0033 | 0.1925 | 0.3531 |
| Trichomonas vaginalis | protein arginine N-methyltransferase, putative | 0.0059 | 0.5452 | 1 |
| Loa Loa (eye worm) | Carm1-pending protein | 0.0033 | 0.1925 | 0.1925 |
| Toxoplasma gondii | histone arginine methyltransferase PRMT1 | 0.0059 | 0.5452 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.3035 | 0.3035 |
| Toxoplasma gondii | bicoid-interacting protein BIN3 | 0.0033 | 0.1925 | 0.3531 |
| Schistosoma mansoni | protein arginine n-methyltransferase | 0.0033 | 0.1925 | 0.3531 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.5654 | 0.5654 |
| Trypanosoma cruzi | arginine N-methyltransferase, type III | 0.0033 | 0.1925 | 0.1925 |
| Trypanosoma cruzi | arginine N-methyltransferase, type I | 0.0033 | 0.1925 | 0.1925 |
| Brugia malayi | Protein arginine N-methyltransferase | 0.0033 | 0.1925 | 0.1925 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.5654 | 0.5654 |
| Toxoplasma gondii | histone arginine methyltransferase PRMT3 | 0.0033 | 0.1925 | 0.3531 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.3035 | 0.3035 |
| Trypanosoma brucei | protein arginine n-methyltransferase 7 | 0.0033 | 0.1925 | 0.1925 |
| Loa Loa (eye worm) | protein arginine N-methyltransferase | 0.0033 | 0.1925 | 0.1925 |
| Echinococcus multilocularis | protein arginine N methyltransferase 7 | 0.0033 | 0.1925 | 0.3531 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.3035 | 0.5567 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 0.1925 | 0.3531 |
| Leishmania major | arginine N-methyltransferase, type I | 0.0033 | 0.1925 | 0.3531 |
| Schistosoma mansoni | protein arginine N-methyltransferase 1 | 0.0059 | 0.5452 | 1 |
| Echinococcus granulosus | methyltransferase protein 5 | 0.0033 | 0.1925 | 0.3531 |
| Echinococcus multilocularis | protein arginine methyltransferase | 0.0059 | 0.5452 | 1 |
| Echinococcus multilocularis | protein arginine N methyltransferase 8 | 0.0059 | 0.5452 | 1 |
| Trypanosoma cruzi | arginine N-methyltransferase, type I | 0.0033 | 0.1925 | 0.1925 |
| Trichomonas vaginalis | protein arginine N-methyltransferase, putative | 0.0059 | 0.5452 | 1 |
| Echinococcus multilocularis | histone arginine methyltransferase CARMER | 0.0033 | 0.1925 | 0.3531 |
| Echinococcus granulosus | protein arginine N methyltransferase 7 | 0.0033 | 0.1925 | 0.3531 |
| Plasmodium falciparum | protein arginine N-methyltransferase 1 | 0.0059 | 0.5452 | 1 |
| Trypanosoma cruzi | protein arginine n-methyltransferase 7 | 0.0033 | 0.1925 | 0.1925 |
| Echinococcus granulosus | protein arginine N methyltransferase 8 | 0.0059 | 0.5452 | 1 |
| Brugia malayi | Carm1-pending protein | 0.0033 | 0.1925 | 0.1925 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 5.6234 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.3601 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (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: CHEMBL1976576
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.