| Entry |
|
|---|
| Name |
Iptacopan (USAN/INN) |
|---|
| Formula |
C25H30N2O4
|
|---|
| Exact mass |
422.2206
|
|---|
| Mol weight |
422.5167
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Complement factor B inhibitor |
|---|
| Comment |
Treatment of nephropathy, glomerulopathy, paroxysmal nocturnal hemoglobinuria and other conditions
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
CFB
D12251 Iptacopan (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 N1y N 18.5164 -17.9525
2 C1x C 18.5164 -19.3555
3 C1x C 19.7314 -20.0570
4 C1y C 20.9465 -19.3555
5 C1x C 20.9465 -17.9525
6 C1y C 19.7314 -17.2510
7 C1b C 17.3014 -17.2510
8 C8y C 16.1033 -17.9429
9 C8y C 14.9134 -17.2559
10 C8y C 13.6984 -17.9575
11 C8x C 13.6985 -19.3605
12 C8x C 14.8883 -20.0474
13 C8y C 16.1033 -19.3459
14 C8x C 14.6217 -15.8836
15 C8x C 13.2264 -15.7370
16 N4x N 12.6557 -17.0187
17 O2a O 22.1803 -20.0680
18 C1b C 23.3881 -19.3709
19 C1a C 24.5729 -20.0551
20 C8y C 19.7314 -15.8482
21 C8x C 20.9296 -15.1562
22 C8x C 20.9294 -13.7532
23 C8y C 19.7143 -13.0519
24 C8x C 18.5162 -13.7438
25 C8x C 18.5163 -15.1468
26 C6a C 19.7142 -11.6390
27 O6a O 18.4952 -10.9354
28 O6a O 20.9253 -10.9397
29 O2a O 17.3435 -20.0619
30 C1b C 17.3435 -21.4649
31 C1a C 16.1329 -22.1639
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 9 14 1
16 14 15 2
17 15 16 1
18 10 16 1
19 4 17 1 #Up
20 17 18 1
21 18 19 1
22 6 20 1 #Down
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 23 26 1
30 26 27 1
31 26 28 2
32 13 29 1
33 29 30 1
34 30 31 1
|
|---|
