Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H27NO.ClH |
Molecular Weight | 309.874 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3
InChI
InChIKey=FYAFJNVLHWQLHK-UHFFFAOYSA-N
InChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H
Molecular Formula | C18H27NO |
Molecular Weight | 273.4131 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2094124 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23527166 |
404.0 nM [Ki] | ||
Target ID: CHEMBL228 Sources: ncbi.nlm.nih.gov/pubmed/23527166 |
844.0 nM [Ki] | ||
Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23527166 |
713.0 nM [Ki] | ||
Target ID: Q99720|||Q7Z653 Gene ID: 10280.0 Gene Symbol: SIGMAR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23527166 |
296.0 nM [Ki] | ||
Target ID: Q5BJF2 Gene ID: 27346.0 Gene Symbol: TMEM97 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23527166 |
143.0 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:22:26 GMT 2023
by
admin
on
Sat Dec 16 10:22:26 GMT 2023
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Record UNII |
E9ADT7AW3J
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Record Status |
Validated (UNII)
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Record Version |
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DTXSID80858001
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2185-93-5
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E9ADT7AW3J
Created by
admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
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71750128
Created by
admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |