| Entry |
|
|---|
| Name |
Iptacopan hydrochloride (USAN);
Iptacopan hydrochloride monohydrate |
|---|
| Formula |
C25H30N2O4. HCl. H2O
|
|---|
| Exact mass |
476.2078
|
|---|
| Mol weight |
476.9929
|
|---|
| 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
D12252 Iptacopan hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 N1y N 18.5852 -17.5370
2 C1x C 18.5852 -19.0043
3 C1x C 19.7730 -19.7030
4 C1y C 20.9607 -19.0043
5 C1x C 20.9607 -17.5370
6 C1y C 19.7730 -16.8384
7 C1b C 17.3276 -16.8384
8 C8y C 16.1398 -17.5370
9 C8y C 14.9520 -16.9082
10 C8y C 13.7643 -17.6069
11 C8x C 13.7643 -19.0043
12 C8x C 14.9520 -19.6331
13 C8y C 16.1398 -18.9344
14 C8x C 14.6726 -15.5108
15 C8x C 13.2752 -15.3711
16 N4x N 12.7162 -16.6287
17 O2a O 22.2184 -19.7030
18 C1b C 23.4061 -19.0043
19 C1a C 24.5939 -19.7030
20 C8y C 19.7730 -15.4410
21 C8x C 20.9607 -14.8122
22 C8x C 20.9607 -13.3449
23 C8y C 19.7730 -12.6462
24 C8x C 18.5852 -13.3449
25 C8x C 18.5852 -14.7423
26 C6a C 19.7730 -11.2489
27 O6a O 18.5153 -10.5502
28 O6a O 20.9607 -10.5502
29 O2a O 17.3974 -19.7030
30 C1b C 17.3974 -21.1003
31 C1a C 16.1398 -21.7990
32 X Cl 25.4100 -13.3000
33 O0 O 25.7600 -16.5200
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
|
|---|
