| Entry |
|
|---|
| Name |
Molibresib (USAN) |
|---|
| Formula |
C22H22ClN5O2
|
|---|
| Exact mass |
423.1462
|
|---|
| Mol weight |
423.89
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
BRD4
D11326 Molibresib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C2y C 15.2512 -16.4405
2 C8y C 14.4116 -15.3211
3 C8y C 14.7614 -13.9919
4 N4y N 16.0207 -13.2923
5 N2x N 16.6503 -16.4405
6 C8y C 17.2100 -13.9919
7 C1y C 17.4899 -15.3911
8 C8y C 14.5516 -17.6997
9 C8x C 15.2512 -18.8891
10 C8x C 13.1524 -17.6997
11 C8x C 12.4528 -18.8891
12 C8y C 13.1524 -20.1483
13 C8x C 14.5516 -20.1483
14 N5x N 18.1895 -13.0125
15 N5x N 17.6298 -11.7532
16 C8y C 16.2306 -11.9631
17 C1a C 15.2512 -10.9836
18 X Cl 12.4528 -21.3376
19 C1b C 18.8891 -15.7409
20 C5a C 20.0784 -15.0413
21 N1b N 21.2677 -15.7409
22 O5a O 20.0784 -13.6421
23 C8x C 13.7671 -13.0064
24 C8x C 12.4164 -13.3748
25 C8y C 12.0666 -14.7040
26 C8x C 13.0610 -15.6895
27 O2a O 10.6923 -15.0791
28 C1a C 9.6924 -14.0885
29 C1b C 22.4911 -15.0477
30 C1a C 23.6831 -15.7489
BOND 33
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 8 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 9 13 2
15 6 14 2
16 14 15 1
17 15 16 2
18 4 16 1
19 16 17 1
20 12 18 1
21 7 19 1 #Down
22 19 20 1
23 20 21 1
24 20 22 2
25 3 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 2 26 1
30 25 27 1
31 27 28 1
32 21 29 1
33 29 30 1
|
|---|
