Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C24H23NO5S |
| Molecular Weight | 437.508 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCC1=C(O)C(=CC=C1OCC2=CC=CC(SC3=NC=CC(=C3)C(O)=O)=C2)C(C)=O
InChI
InChIKey=GWUBYTJAQIRROB-UHFFFAOYSA-N
InChI=1S/C24H23NO5S/c1-3-5-20-21(9-8-19(15(2)26)23(20)27)30-14-16-6-4-7-18(12-16)31-22-13-17(24(28)29)10-11-25-22/h4,6-13,27H,3,5,14H2,1-2H3,(H,28,29)
| Molecular Formula | C24H23NO5S |
| Molecular Weight | 437.508 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:04:28 GMT 2025
by
admin
on
Wed Apr 02 20:04:28 GMT 2025
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| Record UNII |
B9ZU7GL7SK
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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59599563
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300000052390
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888967-23-5
Created by
admin on Wed Apr 02 20:04:28 GMT 2025 , Edited by admin on Wed Apr 02 20:04:28 GMT 2025
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B9ZU7GL7SK
Created by
admin on Wed Apr 02 20:04:28 GMT 2025 , Edited by admin on Wed Apr 02 20:04:28 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> ACTIVATOR |
EC50
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
mGlu2 glutamate receptor potentiator and as cysteinyl leukotriene receptor LT-1 antagonist for treating migraine.
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![Structure of 2-[[3-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]thio]-4-pyridinecarboxylic acid](/img/e6f03671-23d6-4b18-b903-e96b353fc50f.svg "Structure of 2-[[3-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]thio]-4-pyridinecarboxylic acid")