| Entry |
|
|---|
| Name |
Nibrozetone (USAN) |
|---|
| Formula |
C5H6BrN3O5
|
|---|
| Exact mass |
266.9491
|
|---|
| Mol weight |
268.02
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Antineoplastic |
|---|
| Comment |
Treatment of cancer and inflammatory disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04621 | NOD-like receptor signaling pathway |
| hsa04625 | C-type lectin receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Signaling molecules and receptors
Pattern recognition receptors
NOD-like receptors
NLRP3
D12720 Nibrozetone (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 14
1 N1y N 13.3000 -13.5100
2 C1x C 13.3000 -14.9100
3 C1z C 14.7000 -14.9100
4 C1x C 14.7000 -13.5100
5 C5a C 12.1100 -12.8100
6 C1b C 10.9200 -13.5100
7 O5a O 12.1100 -11.4100
8 X Br 9.7019 -12.8199
9 N2b N 14.7000 -16.3100 #+
10 N2b N 16.1000 -14.9100 #+
11 O3a O 16.8000 -16.1224 #-
12 O3a O 16.8000 -13.6976
13 O3a O 13.4876 -17.0100
14 O3a O 15.9124 -17.0100 #-
BOND 14
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 5 1 1
6 5 6 1
7 5 7 2
8 6 8 1
9 3 9 1
10 3 10 1
11 10 11 1
12 10 12 2
13 9 13 2
14 9 14 1
|
|---|
