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
Sat Dec 16 14:53:07 GMT 2023
by
admin
on
Sat Dec 16 14:53:07 GMT 2023
|
Record UNII |
R3T98GBE3C
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
1494675-86-3
Created by
admin on Sat Dec 16 14:53:07 GMT 2023 , Edited by admin on Sat Dec 16 14:53:07 GMT 2023
|
PRIMARY | |||
|
R3T98GBE3C
Created by
admin on Sat Dec 16 14:53:07 GMT 2023 , Edited by admin on Sat Dec 16 14:53:07 GMT 2023
|
PRIMARY | |||
|
72792692
Created by
admin on Sat Dec 16 14:53:07 GMT 2023 , Edited by admin on Sat Dec 16 14:53:07 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
TARGET ORGANISM->INHIBITOR |
Demonstrates efficacy in a rodent model of tuberculosis.
MIC
|
||
|
TARGET -> INHIBITOR |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|