Details
Stereochemistry | RACEMIC |
Molecular Formula | C12H14N2O3 |
Molecular Weight | 234.2512 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1(COC2=C(O1)C=CC=C2)C3=NCCN3
InChI
InChIKey=HQGWKNGAKBPTBX-UHFFFAOYSA-N
InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
Molecular Formula | C12H14N2O3 |
Molecular Weight | 234.2512 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1867 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
0.62 nM [Kd] | ||
Target ID: CHEMBL1942 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
3.83 nM [Kd] | ||
Target ID: CHEMBL1916 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
1.78 nM [Kd] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:30:36 GMT 2023
by
admin
on
Sat Dec 16 08:30:36 GMT 2023
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Record UNII |
E27LB7P0ET
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Record Status |
Validated (UNII)
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Record Version |
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-
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73287
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102575-24-6
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E27LB7P0ET
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DTXSID00907762
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108094
Created by
admin on Sat Dec 16 08:30:36 GMT 2023 , Edited by admin on Sat Dec 16 08:30:36 GMT 2023
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Related Record | Type | Details | ||
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LABELED -> NON-LABELED |
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ENANTIOMER -> RACEMATE |
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TARGET -> INHIBITOR |
BINDING
IC50
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TARGET -> INHIBITOR |
IC50
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ENANTIOMER -> RACEMATE |
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