Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.2453 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1
InChI
InChIKey=QNUKRWAIZMBVCU-WCIBSUBMSA-N
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.2453 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL301 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16584130 |
35.0 nM [IC50] | ||
Target ID: CHEMBL4036 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16584130 |
65.0 nM [IC50] | ||
Target ID: CHEMBL331 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24417566 |
200.0 nM [IC50] | ||
Target ID: CHEMBL279 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12749903 |
130.0 nM [IC50] | ||
Target ID: CHEMBL308 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24417566 |
40.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:29:37 GMT 2025
by
admin
on
Mon Mar 31 21:29:37 GMT 2025
|
| Record UNII |
FD2SWT2SDI
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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377090-84-1
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admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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DTXSID401020706
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admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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5289419
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admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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FD2SWT2SDI
Created by
admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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DB03428
Created by
admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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CHEMBL258805
Created by
admin on Mon Mar 31 21:29:37 GMT 2025 , Edited by admin on Mon Mar 31 21:29:37 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR | |||
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |