Entry |
|
Name |
Doramapimod (USAN/INN) |
Formula |
C31H37N5O3
|
Exact mass |
527.2896
|
Mol weight |
527.6572
|
Structure |
|
Efficacy |
Antipsoriatic, Antirheumatic, Mitogen-activated protein kinase inhibitor |
Comment |
Treatment of rheumatoid arthritis, Crohn's disease and psoriasis
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
P38
D03736 Doramapimod (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 39
1 N1b N 25.7277 -15.1685
2 C5a C 26.9387 -14.4693
3 N1b N 28.1498 -15.1685
4 C8y C 29.3609 -14.4693
5 O5a O 26.9387 -13.0711
6 C8y C 30.5740 -15.1697
7 C8y C 31.7850 -14.4705
8 C8y C 31.7850 -13.0721
9 C8x C 30.5719 -12.3717
10 C8x C 29.3609 -13.0709
11 C8x C 30.5740 -16.5681
12 C8x C 31.7850 -17.2673
13 C8x C 32.9960 -16.5681
14 C8x C 32.9960 -15.1697
15 O2a O 33.0218 -12.3717
16 C1b C 34.2329 -13.0709
17 C1b C 35.4440 -12.3717
18 N1y N 36.6550 -13.0709
19 C1x C 36.6550 -14.4692
20 C1x C 37.8661 -15.1684
21 O2x O 39.0771 -14.4692
22 C1x C 39.0771 -13.0709
23 C1x C 37.8661 -12.3717
24 C8y C 24.5166 -14.4693
25 C8x C 24.0751 -13.1405
26 C8y C 22.6792 -13.1461
27 N5x N 22.2532 -14.4754
28 N4y N 23.3859 -15.2914
29 C8y C 23.3916 -16.6876
30 C8x C 22.1602 -17.4048
31 C8x C 22.1655 -18.8032
32 C8y C 23.3792 -19.4978
33 C8x C 24.6105 -18.7806
34 C8x C 24.6052 -17.3823
35 C1a C 23.3845 -20.8974
36 C1d C 21.8518 -12.0170
37 C1a C 20.9118 -10.9815
38 C1a C 22.8872 -11.0770
39 C1a C 20.8164 -12.9570
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 2
5 4 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 4 10 1
11 6 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 7 14 1
16 8 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 1 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 24 28 1
32 28 29 1
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 26 36 1
41 36 37 1
42 36 38 1
43 36 39 1
|