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 | 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 | C18H27NO |
| Molecular Weight | 273.4131 |
| 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
Mon Mar 31 23:12:50 GMT 2025
by
admin
on
Mon Mar 31 23:12:50 GMT 2025
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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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2185-93-5
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E9ADT7AW3J
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71750128
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|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |