Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H16N2O.C4H6O4 |
Molecular Weight | 346.3784 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COc1ccc2c(c1)c(c[nH]2)C3=CCNCC3.C(CC(=O)O)C(=O)O
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 | 118.0882 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C14H16N2O |
Molecular Weight | 228.2902 |
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
Sat Jun 26 16:33:06 UTC 2021
by
admin
on
Sat Jun 26 16:33:06 UTC 2021
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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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-
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107008-28-6
Created by
admin on Sat Jun 26 16:33:07 UTC 2021 , Edited by admin on Sat Jun 26 16:33:07 UTC 2021
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108028
Created by
admin on Sat Jun 26 16:33:07 UTC 2021 , Edited by admin on Sat Jun 26 16:33:07 UTC 2021
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RKG24J8KJR
Created by
admin on Sat Jun 26 16:33:07 UTC 2021 , Edited by admin on Sat Jun 26 16:33:07 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |