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=CC=CC=C2O1)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
Mon Mar 31 22:07:49 GMT 2025
by
admin
on
Mon Mar 31 22:07:49 GMT 2025
|
| Record UNII |
E27LB7P0ET
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
73287
Created by
admin on Mon Mar 31 22:07:49 GMT 2025 , Edited by admin on Mon Mar 31 22:07:49 GMT 2025
|
PRIMARY | |||
|
102575-24-6
Created by
admin on Mon Mar 31 22:07:49 GMT 2025 , Edited by admin on Mon Mar 31 22:07:49 GMT 2025
|
PRIMARY | |||
|
E27LB7P0ET
Created by
admin on Mon Mar 31 22:07:49 GMT 2025 , Edited by admin on Mon Mar 31 22:07:49 GMT 2025
|
PRIMARY | |||
|
DTXSID00907762
Created by
admin on Mon Mar 31 22:07:49 GMT 2025 , Edited by admin on Mon Mar 31 22:07:49 GMT 2025
|
PRIMARY | |||
|
108094
Created by
admin on Mon Mar 31 22:07:49 GMT 2025 , Edited by admin on Mon Mar 31 22:07:49 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
|
||
|
LABELED -> NON-LABELED |
|
||
|
ENANTIOMER -> RACEMATE |
|
||
|
|
TARGET -> INHIBITOR |
BINDING
IC50
|
||
|
TARGET -> INHIBITOR |
IC50
|
||
|
SALT/SOLVATE -> PARENT |
|
||
|
ENANTIOMER -> RACEMATE |
|