| Entry |
|
|---|
| Name |
Vepugratinib (USAN) |
|---|
| Formula |
C23H22ClFN8O2
|
|---|
| Exact mass |
496.1538
|
|---|
| Mol weight |
496.92
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
D13203 Vepugratinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
FGFR family
FGFR3 (CD333)
D13203 Vepugratinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 6.5100 -20.3700
2 C8x C 6.5100 -18.9700
3 C8x C 7.7000 -18.2700
4 C8y C 8.9600 -18.9700
5 N5x N 8.9600 -20.3700
6 C8x C 7.7000 -21.0700
7 X F 5.3200 -21.0700
8 C1c C 10.1500 -18.2700
9 C1b C 11.3400 -18.9700
10 O2a O 10.1500 -16.8700
11 C8y C 11.3400 -16.1700
12 O1a O 12.5300 -18.2700
13 C8y C 11.3400 -14.7700
14 N4y N 12.6000 -14.0700
15 C8x C 13.7900 -14.7700
16 C8y C 13.7900 -16.1700
17 C8x C 12.6000 -16.8700
18 C8y C 10.3600 -13.8600
19 C8x C 10.9200 -12.5300
20 N5x N 12.3200 -12.6700
21 X Cl 8.9600 -14.1400
22 C8y C 14.9800 -16.8700
23 C8y C 16.1000 -16.1000
24 N4y N 17.2200 -16.8700
25 N5x N 16.8000 -18.2000
26 N5x N 15.4000 -18.2000
27 C1a C 16.1000 -14.7000
28 C1y C 18.4100 -16.1700
29 C1x C 18.4100 -14.7700
30 C1x C 19.6700 -14.0700
31 N1y N 20.8600 -14.7700
32 C1x C 20.8600 -16.1700
33 C1x C 19.6700 -16.8700
34 C3b C 22.0500 -14.0700
35 N3a N 23.3100 -13.3700
BOND 39
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 4 8 1
9 8 9 1 #Down
10 8 10 1
11 10 11 1
12 9 12 1
13 11 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 11 17 2
19 13 18 2
20 18 19 1
21 19 20 2
22 14 20 1
23 18 21 1
24 16 22 1
25 22 23 2
26 23 24 1
27 24 25 1
28 25 26 2
29 22 26 1
30 23 27 1
31 24 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 31 34 1
39 34 35 3
|
|---|
