| Entry |
|
|---|
| Name |
Pelabresib (USAN/INN);
Pelabresib hydrate |
|---|
| Formula |
C20H16ClN3O2. H2O
|
|---|
| Exact mass |
383.1037
|
|---|
| Mol weight |
383.83
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, BET inhibitor |
|---|
| Comment |
Treatment of myelofibrosis
|
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX84 Pelabresib
D12266 Pelabresib (USAN/INN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
BRD2
D12266 Pelabresib (USAN/INN)
BRD3
D12266 Pelabresib (USAN/INN)
BRD4
D12266 Pelabresib (USAN/INN)
BRDT
D12266 Pelabresib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C2y C 17.1759 -16.4779
2 C8y C 16.3343 -15.3559
3 C8y C 16.6849 -14.0237
4 C8y C 17.9471 -13.3225
5 N2x N 18.5781 -16.4779
6 C8y C 19.1391 -14.0237
7 C1y C 19.4196 -15.4261
8 C8y C 16.4747 -17.7399
9 C8x C 17.1759 -18.9320
10 C8x C 15.0723 -17.7399
11 C8x C 14.3711 -18.9320
12 C8y C 15.0723 -20.1941
13 C8x C 16.4747 -20.1941
14 O2x O 20.1208 -13.0421
15 N5x N 19.5599 -11.7799
16 C8y C 18.1575 -11.9903
17 C1a C 17.1759 -11.0086
18 X Cl 14.3711 -21.3861
19 C1b C 20.8220 -15.7767
20 C5a C 22.0140 -15.0755
21 N1a N 23.2060 -15.7767
22 O5a O 22.0140 -13.6731
23 C8x C 15.6884 -13.0360
24 C8x C 14.3346 -13.4052
25 C8x C 13.9840 -14.7374
26 C8x C 14.9807 -15.7251
27 O0 O 21.3500 -20.7900
BOND 29
1 3 4 1
2 1 5 2
3 4 6 2
4 5 7 1
5 1 2 1
6 6 7 1
7 1 8 1
8 8 9 1
9 8 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 9 13 2
14 6 14 1
15 14 15 1
16 15 16 2
17 4 16 1
18 16 17 1
19 12 18 1
20 7 19 1 #Down
21 19 20 1
22 20 21 1
23 20 22 2
24 2 3 1
25 3 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 2 26 2
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