Detailed information for compound 329027
Basic information
Technical information
- TDR Targets ID: 329027
- Name: N-ethyl-N-(2-hydroxyethyl)-2,2,3,3-tetramethy lcyclopropane-1-carboxamide
- MW: 213.317 | Formula: C12H23NO2
-
H donors: 1
H acceptors: 2
LogP: 1.53
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: OCCN(C(=O)C1C(C1(C)C)(C)C)CC
- InChi: 1S/C12H23NO2/c1-6-13(7-8-14)10(15)9-11(2,3)12(9,4)5/h9,14H,6-8H2,1-5H3
- InChiKey: RNMZZHXIEXLPFB-UHFFFAOYSA-N
Network
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Synonyms
- N-ethyl-N-(2-hydroxyethyl)-2,2,3,3-tetramethyl-cyclopropanecarboxamide
- N-ethyl-N-(2-hydroxyethyl)-2,2,3,3-tetramethylcyclopropanecarboxamide
- N-ethyl-N-(2-hydroxyethyl)-2,2,3,3-tetramethyl-cyclopropane-1-carboxamide
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | nuclear hormone receptor | 0.4644 | 0.9386 | 0.5 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.3319 | 0.6317 | 1 |
| Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.4644 | 0.9386 | 1 |
| Echinococcus multilocularis | retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha | 0.3053 | 0.5703 | 0.5 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.3319 | 0.6317 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 100 mg/kg; 0/3= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 100 mg/kg; 0/3= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 100 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 hr with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 h after the drug administered with dose of 100 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 h after the drug administered with dose of 100 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 hr with dose of 300 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 15 min in rats; - means No protection | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 30 min in rats; -means No protection | ChEMBL. | 15294003 |
| Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 1 hr in rats; -means No protection | ChEMBL. | 15294003 |
| Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 2 hr in rats; - means No protection | ChEMBL. | 15294003 |
| Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 4 hr in rats; -means No protection | ChEMBL. | 15294003 |
| Activity (ADMET) | 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 30 min in rats; ++ means 50% of the animals protected | ChEMBL. | 15294003 |
| Activity (functional) | 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 1 hr in rats; + means 25% of the animals protected | ChEMBL. | 15294003 |
| Activity (functional) | 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 4 hr in rats; +means 25% of the animals protected | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 h after the drug administered with dose of 30 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 0.5 h after the drug administered with dose of 100 mg/kg; 0/3= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse at maximal electroshock test at 4 h after the drug administered with dose of 100 mg/kg; 0/3= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Activity (functional) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 0.5 h with dose of 100 mg/kg; 0/1= No of animals protected /No of animals tested | ChEMBL. | 15294003 |
| Anticonvulsant Activity (functional) | 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 15 min in rats; NT = Not tested | ChEMBL. | 15294003 |
| Anticonvulsant Activity (functional) | - 0 | Anticonvulsant activity of the compound after oral administration of 100 mg/kg dose after 2 hr in rats; - means No protection | ChEMBL. | 15294003 |
| clogP | = 1.57 | Calculated partition coefficient (clogP) | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 4 hr with dose of 300 mg/kg; 0/2= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
| Toxicity (functional) | 0 | Toxicity of the compound after oral administration of 100 mg/kg dose in rats; + means 25% of the animals protected | ChEMBL. | 15294003 |
| Toxicity (ADMET) | 0 | Toxicity of the compound after oral administration of 100 mg/kg dose in rats; + means 25% of the animals exhibit toxicity | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 0.5 h with dose of 30 mg/kg; 0/4= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 0 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 4 hr with dose of 30 mg/kg; 0/2= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 1 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 4 hr with dose of 100 mg/kg; 1/4= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 4 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 0.5 h with dose of 300 mg/kg; 4/4= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
| Toxicity (ADMET) | = 7 | Anti convulsant activity of the compound administered intra peritoneally to mouse for toxicity at 0.5 h with dose of 100 mg/kg; 7/8= No of animals exhibiting toxicity /No of animals tested | ChEMBL. | 15294003 |
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: CHEMBL362128
- PubChem: 11183471
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.