Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H21N5O3 |
| Molecular Weight | 355.391 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(C)C(CN2C=C(C(=O)NCCO)C3=NC=C(C)C=C23)=NC=N1
InChI
InChIKey=VDRYGTNDKXIPSK-UHFFFAOYSA-N
InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
| Molecular Formula | C18H21N5O3 |
| Molecular Weight | 355.391 |
| 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: P9WJF1 Gene ID: 886125.0 Gene Symbol: dprE1 Target Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24874895 |
10.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 01:42:04 GMT 2025
by
admin
on
Wed Apr 02 01:42:04 GMT 2025
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| Record UNII |
R3T98GBE3C
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| Record Status |
Validated (UNII)
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| Record Version |
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1494675-86-3
Created by
admin on Wed Apr 02 01:42:04 GMT 2025 , Edited by admin on Wed Apr 02 01:42:04 GMT 2025
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R3T98GBE3C
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admin on Wed Apr 02 01:42:04 GMT 2025 , Edited by admin on Wed Apr 02 01:42:04 GMT 2025
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DTXSID101352108
Created by
admin on Wed Apr 02 01:42:04 GMT 2025 , Edited by admin on Wed Apr 02 01:42:04 GMT 2025
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72792692
Created by
admin on Wed Apr 02 01:42:04 GMT 2025 , Edited by admin on Wed Apr 02 01:42:04 GMT 2025
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| Related Record | Type | Details | ||
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TARGET ORGANISM->INHIBITOR |
Demonstrates efficacy in a rodent model of tuberculosis.
MIC
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |
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