| Entry |
|
|---|
| Name |
Ulixertinib (INN) |
|---|
| Formula |
C21H22Cl2N4O2
|
|---|
| Exact mass |
432.1120
|
|---|
| Mol weight |
433.33
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Extracellular signal-regulated kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
ERK
D11038 Ulixertinib (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 28.4200 -19.0400
2 C8x C 28.4200 -20.4400
3 C8x C 29.6100 -21.1400
4 C8x C 30.8700 -20.4400
5 C8y C 30.8700 -19.0400
6 C8x C 29.6100 -18.3400
7 X Cl 32.0600 -18.3400
8 C1c C 27.2300 -18.3400
9 N1b N 26.0400 -19.0400
10 C5a C 24.8500 -18.3400
11 C8y C 23.6600 -19.0400
12 O5a O 24.8500 -16.9400
13 C8x C 22.4700 -18.2700
14 C8y C 21.4200 -19.1100
15 C8x C 21.8400 -20.3700
16 N4x N 23.2400 -20.3700
17 C8y C 20.2300 -18.4100
18 C8y C 20.2300 -17.0100
19 C8x C 19.0400 -16.3100
20 N5x N 17.7800 -17.0100
21 C8y C 17.7800 -18.4100
22 C8x C 19.0400 -19.1100
23 N1b N 16.5900 -19.1100
24 C1c C 15.3300 -18.4100
25 C1a C 14.1400 -19.1800
26 C1a C 15.3300 -17.0100
27 X Cl 21.4200 -16.3100
28 C1b C 27.2300 -16.9400
29 O1a O 28.4453 -16.2449
BOND 31
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 5 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 1
18 17 14 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 21 23 1
26 23 24 1
27 24 25 1
28 24 26 1
29 18 27 1
30 8 28 1 #Down
31 28 29 1
|
|---|
