Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H33NO2.ClH |
Molecular Weight | 391.975 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCCN(CCC)CCC1=CC=C(OC)C(OCCC2=CC=CC=C2)=C1
InChI
InChIKey=ZHGMDXSHODHWHV-UHFFFAOYSA-N
InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C23H33NO2 |
Molecular Weight | 355.5136 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/8041225Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19053780 | https://www.ncbi.nlm.nih.gov/pubmed/18774292 | https://www.ncbi.nlm.nih.gov/pubmed/15322732
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8041225
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19053780 | https://www.ncbi.nlm.nih.gov/pubmed/18774292 | https://www.ncbi.nlm.nih.gov/pubmed/15322732
NE-100 is potent and selective σ1 receptor antagonist that displays > 55-fold selectivity over σ2receptors and > 6000-fold selectivity over D1, D2, 5-HT1A, 5-HT2 and PCP receptors. NE-100 exhibits reversible binding and displays antipsychotic activity in vivo.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4153 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19053780 |
1.03 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sources: https://google.com/patents/EP1224930A1 |
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8041225
Male and female beagle dogs (7.5 - 13.5 kg) were placed individually in a cage (70 x 70 x 70 cm). NE-100 (0.03, 0.1 and 0.3 mg/kg) was given orally 10 min before the administration of PCP (0.6 mg/kg, s.c.), then the animals were observed for abnormal behavior every 10 min for 60 min. Abnormal behavior was scored according to the following criteria.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15322732
Cells were seeded into 96-well plates for optical performance in the fluorescent cell-based assay in 100 μl complete medium in the presence or absence of different concentrations of NE-100. The plate was incubated for 24 h in a humidified atmosphere 5% CO2 at 37°C and then 100 μl substrate mix in assay buffer added. A 10 μl aliquot of lysis solution was added to untreated wells to estimate total LDH. Plates were kept protected from light for 10 min at room temperature, and then 50 μl stop solution was added to all wells. The fluorescence was recorded using a LS55 Luminescence Spectrometer Perkin Elmer (excitation at 560 nm; emission at 590 nm).
Substance Class |
Chemical
Created
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admin
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Edited
Sat Dec 16 15:57:49 GMT 2023
by
admin
on
Sat Dec 16 15:57:49 GMT 2023
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Record UNII |
T6QLY532R9
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Record Status |
Validated (UNII)
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Record Version |
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