Entry |
|
Name |
Vemircopan (USAN/INN) |
Formula |
C29H28BrN7O3
|
Exact mass |
601.1437
|
Mol weight |
602.48
|
Structure |

|
Efficacy |
Complement factor D inhibitor |
Comment |
Treatment of immune-complement diseases including paroxysmal nocturnal hemoglobinuria
|
Target |
|
Pathway |
hsa04610 | Complement and coagulation cascades |
|
Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
CFD
D12481 Vemircopan (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 40
1 C8x C 11.2700 -22.8900
2 C8y C 11.2700 -24.2900
3 C8x C 12.4600 -24.9900
4 C8y C 13.7200 -24.2900
5 C8y C 13.7200 -22.8900
6 C8x C 12.4600 -22.1900
7 C8y C 15.0500 -24.7100
8 N5x N 15.8200 -23.5900
9 N4y N 15.0500 -22.4700
10 C5a C 15.4700 -26.0400
11 C1a C 16.8700 -26.3200
12 O5a O 14.5600 -27.0900
13 C8y C 10.0800 -24.9900
14 C8x C 8.8900 -24.2900
15 N5x N 7.6300 -24.9900
16 C8y C 7.6300 -26.3900
17 N5x N 8.8200 -27.0900
18 C8x C 10.0800 -26.3900
19 C1a C 6.4400 -27.0900
20 C1b C 15.4700 -21.1400
21 C5a C 16.8700 -20.8600
22 N1y N 17.7800 -21.9100
23 O5a O 17.2900 -19.5300
24 C1y C 17.5000 -23.3100
25 C1z C 18.7600 -24.0100
26 C1x C 19.7400 -23.0300
27 C1y C 19.1800 -21.7700
28 C8y C 22.7500 -19.6700
29 C8y C 22.7500 -21.0700
30 N5x N 23.9400 -21.7700
31 C8y C 25.2000 -21.0700
32 C8x C 25.2000 -19.6700
33 C8x C 23.9400 -18.9700
34 X Br 26.3900 -21.7700
35 N1b N 21.5600 -21.7700
36 C5a C 20.3700 -21.0700
37 O5a O 20.3700 -19.6700
38 C1a C 21.5600 -18.9700
39 C1x C 17.5476 -24.7100
40 C1a C 19.9724 -24.7100
BOND 45
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 7 10 1
12 10 11 1
13 10 12 2
14 2 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 9 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
37 31 34 1
38 29 35 1
39 35 36 1
40 27 36 1 #Down
41 36 37 2
42 28 38 1
43 25 39 1
44 24 39 1
45 25 40 1 #Down
|