| Entry |
|
|---|
| Name |
Napabucasin (JAN/USAN/INN) |
|---|
| Formula |
C14H8O4
|
|---|
| Exact mass |
240.0423
|
|---|
| Mol weight |
240.21
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antineoplastic, Signal transducer and activator of transcription 3 (STAT3) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Genetic information processing
Transcription factor
STAT3
D10717 Napabucasin (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8y C 23.4500 -16.7300
2 C5x C 20.0900 -18.1300
3 C5x C 20.0900 -15.3300
4 C8y C 18.9000 -17.4300
5 O5x O 20.0900 -19.5300
6 C8y C 18.9000 -16.0300
7 O5x O 20.0900 -13.9300
8 C8x C 17.7100 -18.1300
9 C8x C 17.7100 -15.3300
10 C8x C 16.4500 -17.4300
11 C8x C 16.4500 -16.0300
12 C8y C 21.2800 -16.0300
13 C8y C 21.2800 -17.4300
14 C8x C 22.6800 -17.8500
15 O2x O 22.6100 -15.6100
16 C5a C 24.8500 -16.7300
17 C1a C 25.5500 -17.9200
18 O5a O 25.5500 -15.5176
BOND 20
1 13 2 1
2 12 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 3 7 2
7 4 8 1
8 6 9 1
9 8 10 2
10 9 11 2
11 4 6 2
12 10 11 1
13 12 13 2
14 13 14 1
15 14 1 2
16 1 15 1
17 15 12 1
18 1 16 1
19 16 17 1
20 16 18 2
|
|---|
