Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C10H15N3 |
| Molecular Weight | 177.2462 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=N)NCC1=CC=CC(CN)=C1
InChI
InChIKey=RODUKNYOEVZQPR-UHFFFAOYSA-N
InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
| Molecular Formula | C10H15N3 |
| Molecular Weight | 177.2462 |
| 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: CHEMBL4481 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9030556 |
7.0 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 05:03:33 GMT 2025
by
admin
on
Wed Apr 02 05:03:33 GMT 2025
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| Record UNII |
M1VB8VP8OH
|
| Record Status |
Validated (UNII)
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| Record Version |
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M1VB8VP8OH
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DTXSID201290729
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90721
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1433
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180001-34-7
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DB02044
Created by
admin on Wed Apr 02 05:03:33 GMT 2025 , Edited by admin on Wed Apr 02 05:03:33 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Slow, tight binding inhibitor of human inducible nitric- oxide synthase (iNOS). Inhibited enzyme did not recover activity after 2 h. Thus, 1400W was either an irreversible inhibitor or an extremely slowly reversible inhibitor of human iNOS with a Kd value ? 7 nM.
TIME-DEPENDENT INHIBITION
Ki
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |