Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H16N2O.C4H6O4 |
| Molecular Weight | 346.3777 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.COC1=CC2=C(NC=C2C3=CCNCC3)C=C1
InChI
InChIKey=AFNQSRYIQUAMNM-UHFFFAOYSA-N
InChI=1S/C14H16N2O.C4H6O4/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.2896 |
| 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: CHEMBL3371 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331 |
79.0 nM [IC50] | ||
Target ID: CHEMBL214 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9760039 |
1.13 nM [Ki] | ||
Target ID: CHEMBL1983 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1652050 |
18.0 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:46:05 GMT 2025
by
admin
on
Tue Apr 01 16:46:05 GMT 2025
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| Record UNII |
RKG24J8KJR
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| Record Status |
Validated (UNII)
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| Record Version |
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ACTIVE MOIETY |