| Entry |
|
|---|
| Name |
Valemetostat (INN) |
|---|
| Formula |
C26H34ClN3O4
|
|---|
| Exact mass |
487.2238
|
|---|
| Mol weight |
488.0189
|
|---|
| Structure |
|
|---|
| Remark |
| Product (DG03075): | D11662<JP> |
|
|---|
| Efficacy |
Antineoplastic, histone methyltransferase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
EZH
D11551 Valemetostat (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8x C 27.0900 -15.4700
2 C8y C 27.0900 -16.8700
3 N4x N 25.9000 -17.5700
4 C8y C 24.6400 -16.8700
5 C8y C 24.6400 -15.4700
6 C8y C 25.9000 -14.7700
7 C1b C 23.4500 -14.7700
8 N1b N 22.2600 -15.4700
9 C5a C 21.0700 -14.7700
10 C8y C 19.8800 -15.4700
11 O5a O 21.0700 -13.3700
12 C8x C 19.8800 -16.8700
13 C8y C 18.6200 -17.5700
14 C8y C 17.4300 -16.8700
15 C8y C 17.4300 -15.4700
16 C8y C 18.6200 -14.7700
17 C1a C 18.6200 -13.3700
18 X Cl 18.6200 -18.9700
19 O2x O 16.1000 -17.2900
20 C1z C 15.2600 -16.1700
21 O2x O 16.1000 -14.9800
22 C1y C 13.8600 -16.1700
23 C1a C 14.6300 -17.4300
24 C1x C 13.1600 -17.3600
25 C1x C 11.7600 -17.3600
26 C1y C 11.0600 -16.1700
27 C1x C 11.7600 -14.9100
28 C1x C 13.1600 -14.9100
29 N1c N 9.6600 -16.1700
30 C1a C 8.9600 -17.3600
31 C1a C 8.9600 -14.9800
32 C1a C 25.9000 -13.3700
33 O5x O 23.4500 -17.5700
34 C1a C 28.2800 -17.5700
BOND 37
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 9 11 2
12 10 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 10 16 1
18 16 17 1
19 13 18 1
20 14 19 1
21 19 20 1
22 20 21 1
23 15 21 1
24 20 22 1
25 20 23 1 #Up
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 22 28 1
32 26 29 1 #Down
33 29 30 1
34 29 31 1
35 6 32 1
36 4 33 2
37 2 34 1
|
|---|
