| Entry |
|
|---|
| Name |
Siremadlin (USAN/INN) |
|---|
| Formula |
C26H24Cl2N6O4
|
|---|
| Exact mass |
554.1236
|
|---|
| Mol weight |
555.41
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplasitc, MDM2 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
E3 ubiquitin-protein ligase
MDM2
D12417 Siremadlin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 13.5800 -10.9200
2 C8y C 13.5800 -9.5200
3 C5x C 14.9100 -9.1000
4 N1y N 15.7500 -10.2200
5 C1y C 14.9100 -11.3400
6 N4y N 12.2500 -11.3400
7 C8y C 11.4100 -10.2200
8 N5x N 12.2500 -9.1000
9 C8y C 10.0100 -10.2200
10 C8x C 9.3100 -11.4100
11 N5x N 7.9100 -11.4100
12 C8y C 7.2100 -10.2200
13 N5x N 7.9100 -9.0300
14 C8y C 9.3100 -9.0300
15 O2a O 5.8100 -10.2200
16 C1a C 5.1100 -11.4100
17 O2a O 10.0100 -7.8400
18 C1a C 11.4100 -7.8400
19 C1c C 11.8300 -12.6700
20 C1a C 10.4300 -12.9500
21 C1a C 12.7400 -13.7200
22 C8y C 17.1500 -10.2200
23 O5x O 15.3300 -7.7700
24 C8y C 17.8500 -9.0300
25 N4y N 19.2500 -9.0300
26 C8x C 19.9500 -10.2200
27 C8y C 19.2500 -11.4100
28 C8x C 17.8500 -11.4100
29 C8y C 15.3300 -12.6700
30 C8x C 16.7300 -12.9500
31 C8x C 17.1500 -14.2800
32 C8y C 16.1700 -15.3300
33 C8x C 14.8400 -15.0500
34 C8x C 14.4200 -13.7200
35 X Cl 16.5900 -16.6600
36 O5x O 17.1500 -7.8400
37 C1a C 19.9500 -7.8400
38 X Cl 19.9500 -12.6000
BOND 42
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 7 8 2
9 2 8 1
10 7 9 1
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 12 15 1
18 15 16 1
19 14 17 1
20 17 18 1
21 6 19 1
22 19 20 1
23 19 21 1
24 4 22 1
25 3 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 22 28 2
32 5 29 1 #Up
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 32 35 1
40 24 36 2
41 25 37 1
42 27 38 1
|
|---|
