Detailed information for compound 325147

Basic information

Technical information
  • TDR Targets ID: 325147
  • Name: N-carbamoyl-2,2,3,3-tetramethylcyclopropane-1 -carboxamide
  • MW: 184.236 | Formula: C9H16N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C(C1(C)C)(C)C)NC(=O)N
  • InChi: 1S/C9H16N2O2/c1-8(2)5(9(8,3)4)6(12)11-7(10)13/h5H,1-4H3,(H3,10,11,12,13)
  • InChiKey: KJBMJZDWDYSUGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-carbamoyl-2,2,3,3-tetramethyl-cyclopropanecarboxamide
  • N-carbamoyl-2,2,3,3-tetramethylcyclopropanecarboxamide
  • N-aminocarbonyl-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
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0024 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 1 1
Brugia malayi nuclear hormone receptor 0.0024 1 1
Brugia malayi nuclear receptor NHR-88 0.0024 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 1 1
Schistosoma mansoni thyroid hormone receptor 0.0024 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0024 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 1 1
Schistosoma mansoni nuclear hormone receptor 0.0024 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 1 1
Onchocerca volvulus 0.0024 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0024 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0024 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 1 1
Schistosoma mansoni thyroid hormone receptor 0.0024 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 1 0.5
Brugia malayi steroid hormone receptor 0.0024 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 1 1
Schistosoma mansoni coup transcription factor 0.0024 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0024 1 0.5
Echinococcus granulosus FTZ F1 alpha 0.0024 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 1 1

Activities

Activity type Activity value Assay description Source Reference
(functional) 1.6 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for protective index in subcutaneous metrazol test ChEMBL. 15294003
Activity (functional) 0 Anticonvulsant activity of the compound after oral administration of 30 mg/kg dose after 15 min in rats;+means 25% of the animals protected 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 30 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 30 mg/kg dose after 1 hr in rats; +++ means 75% of the animals protected ChEMBL. 15294003
Activity (functional) 0 Anticonvulsant activity of the compound after oral administration of 30 mg/kg dose after 2 hr in rats; ++++ means 100% of the animals protected ChEMBL. 15294003
Activity (functional) 0 Anticonvulsant activity of the compound after oral administration of 30 mg/kg dose after 4 hr in rats; + means 25% of the animals protected ChEMBL. 15294003
Activity (functional) 0 Anticonvulsant activity of the compound after oral administration of 50 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 50 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 50 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 50 mg/kg dose after 4 hr in rats; -means No protection 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 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 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 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) = 1 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; 1/1= No of animals protected /No of animals tested ChEMBL. 15294003
Activity (functional) = 1 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; 1/1= No of animals protected /No of animals tested ChEMBL. 15294003
Activity (functional) = 3 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; 3/3= No of animals protected /No of animals tested ChEMBL. 15294003
Activity (functional) = 3 Anti convulsant activity of the compound administered intra peritoneally to mouse for subcutaneous metrazol test at 4 hr with dose of 300 mg/kg; 3/5= No of animals protected /No of animals tested ChEMBL. 15294003
Activity (functional) 5.9 Quantitative Anticonvulsant activity of the compound administered orally to rat for protective index in subcutaneous metrazol test ChEMBL. 15294003
Anticonvulsant Activity (functional) - 0 Toxicity of the compound after oral administration of 30 mg/kg dose in rats; - means No toxicity ChEMBL. 15294003
Anticonvulsant Activity (functional) 0 Anticonvulsant activity of the compound after oral administration of 50 mg/kg dose after 15 min in rats; +++ means 75% of the animals protected ChEMBL. 15294003
clogP = 1.53 Calculated partition coefficient (clogP) ChEMBL. 15294003
ED50 (functional) = 29 mg kg-1 Quantitative Anticonvulsant activity of the compound administered orally to rat at maximal electro shock test; the interval in parenthesis stands for 95% confidence interval ChEMBL. 15294003
ED50 (functional) = 90 mg kg-1 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for maximal electro shock test ; The interval in parenthesis stands for 95% confidence interval ChEMBL. 15294003
ED50 (functional) = 90 mg kg-1 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for maximal electro shock test ; The interval in parenthesis stands for 95% confidence interval ChEMBL. 15294003
ED50 (functional) = 90 mg kg-1 Anticonvulsant activity in Mus musculus (mouse) assessed as inhibition of maximal electroshock-induced seizure ChEMBL. No reference
ED50 (functional) = 92 mg kg-1 Quantitative Anticonvulsant activity of the compound administered orally to rat for subcutaneous metrazol test ChEMBL. 15294003
ED50 (functional) = 125 mg kg-1 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for subcutaneous metrazol test ChEMBL. 15294003
ED50 (functional) = 125 mg kg-1 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for subcutaneous metrazol test ChEMBL. 15294003
Ratio (functional) = 1.9 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for protective index in maximal electro shock test;TD50/ED50 ChEMBL. 15294003
Ratio (functional) = 18.5 Quantitative Anticonvulsant activity of the compound administered orally to rat for protective index in maximal electro shock test;TD50/ED50 ChEMBL. 15294003
TD50 (ADMET) = 168 mg kg-1 Quantitative Anticonvulsant activity of the compound administered intraperitoneally to mouse for toxicity ChEMBL. 15294003
TD50 (ADMET) = 538 mg kg-1 Quantitative Anticonvulsant activity of the compound administered orally to rat for toxicity ChEMBL. 15294003
Toxicity (ADMET) - 0 Toxicity of the compound after oral administration of 50 mg/kg dose in rats; - means No 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 (functional) = 0 Anticonvulsant activity of the compound administered intra-peritoneally to mouse for toxicity at 4 hr with dose of 30 mg/kg 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 100 mg/kg; 0/8= 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 100 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 0.5 h with dose of 300 mg/kg; 0/4= 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 300 mg/kg; 1/2= 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.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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