Detailed information for compound 1584611
Basic information
Technical information
- TDR Targets ID: 1584611
- Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(oxolan-2- ylmethyl)propanamide
- MW: 311.804 | Formula: C16H22ClNO3
-
H donors: 1
H acceptors: 1
LogP: 3.4
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C(Oc1cc(C)c(c(c1)C)Cl)C)NCC1CCCO1
- InChi: 1S/C16H22ClNO3/c1-10-7-14(8-11(2)15(10)17)21-12(3)16(19)18-9-13-5-4-6-20-13/h7-8,12-13H,4-6,9H2,1-3H3,(H,18,19)
- InChiKey: UEDJKPXUJSTALD-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(tetrahydrofuran-2-ylmethyl)propanamide
- 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-tetrahydrofuranylmethyl)propanamide
- 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(tetrahydrofurfuryl)propionamide
- 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(oxolan-2-ylmethyl)propanamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| 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 |
|---|---|---|---|---|---|
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
| 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 | 0.0717 | 1 |
| Plasmodium vivax | beta-ketoacyl-acyl carrier protein synthase III precursor, putative | 0.0307 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | 3-oxoacyl-ACP synthase | 0.0307 | 1 | 0.5 |
| Mycobacterium ulcerans | beta-ketoacyl synthase-like protein | 0.0307 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0 | 0.5 |
| Plasmodium falciparum | beta-ketoacyl-ACP synthase III | 0.0307 | 1 | 0.5 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0717 | 1 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0307 | 1 | 0.5 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0717 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0717 | 1 |
| Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0307 | 1 | 0.5 |
| Mycobacterium tuberculosis | 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) | 0.0307 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.2589 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.2213 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 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
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | 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: CHEMBL1897016
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.