| Entry |
|
|---|
| Name |
Pociredir (USAN/INN) |
|---|
| Formula |
C22H18FN5O2
|
|---|
| Exact mass |
403.1445
|
|---|
| Mol weight |
403.41
|
|---|
| Structure |
|
|---|
| Efficacy |
Hematologic disease treatment, EED inhibitor |
|---|
| Comment |
Treatment of sickle cell disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Chromatin
EED
D12782 Pociredir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 20.1600 -23.2400
2 C8y C 20.1600 -21.8400
3 C8x C 21.3500 -21.1400
4 C8y C 22.6100 -21.8400
5 C8y C 22.6100 -23.2400
6 N4y N 21.3500 -23.9400
7 N5x N 23.6600 -24.1500
8 N5x N 23.0300 -25.4100
9 C8x C 21.6300 -25.3400
10 C8y C 23.8000 -21.1400
11 C8y C 23.8000 -19.7400
12 N5x N 24.9900 -19.0400
13 C8x C 26.2500 -19.7400
14 C8x C 26.2500 -21.1400
15 C8x C 25.0600 -21.8400
16 C1a C 22.6100 -19.0400
17 O2x O 18.9700 -21.1400
18 C1x C 17.7100 -21.8400
19 C1x C 17.7100 -23.2400
20 N1x N 18.9700 -23.9400
21 C8y C 15.6800 -22.4700
22 C8y C 16.3800 -23.6600
23 C8y C 15.6800 -24.8500
24 C8x C 14.2800 -24.8500
25 C8x C 13.5800 -23.6600
26 C8y C 14.2800 -22.4700
27 O2x O 13.8600 -21.1400
28 C1x C 14.9800 -20.3000
29 C1y C 16.1000 -21.1400
30 X F 16.3800 -26.0400
BOND 35
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 6 9 1
11 4 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 11 16 1
19 2 17 1
20 17 18 1
21 19 20 1
22 1 20 1
23 21 22 2
24 19 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 21 29 1
34 29 18 1
35 23 30 1
|
|---|
