| Entry |
|
|---|
| Name |
Deucrictibant (USAN/INN) |
|---|
| Formula |
C25H23ClF3N5O3
|
|---|
| Exact mass |
534.1504
|
|---|
| Mol weight |
533.93
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiangioedema, Bradykinin receptor antagonist |
|---|
| Comment |
Treatment of hereditary angioedema
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Bradykinin
BDKRB2
D12618 Deucrictibant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8x C 9.4500 -17.0100
2 C8y C 9.4500 -18.4100
3 C8x C 10.6624 -19.1100
4 C8y C 11.8749 -18.4100
5 C8y C 11.8749 -17.0100
6 C8y C 10.6624 -16.3100
7 X F 8.2376 -19.1100
8 X Cl 13.1060 -19.1210
9 C1b C 13.1060 -16.2990
10 O2a O 14.3112 -16.9947
11 C8y C 15.4935 -16.3119
12 C8x C 16.6875 -17.0012
13 C8x C 17.8999 -16.3012
14 C8x C 17.8999 -14.9012
15 C8y C 16.7060 -14.2119
16 C8y C 15.4935 -14.9119
17 C8y C 16.7060 -12.8119
18 C8x C 15.4935 -12.1119
19 C8y C 14.2811 -12.8119
20 N5x N 14.2811 -14.2119
21 C1a C 13.0670 -12.1109
22 C8y C 17.9371 -12.1009
23 N5x N 19.2051 -12.6654
24 C8x C 20.1338 -11.6339
25 N5x N 19.4398 -10.4319
26 N4y N 18.0822 -10.7205
27 C1a C 17.0244 -9.7679
28 C1c C 10.6624 -14.9102
29 N1b N 9.4332 -14.2003
30 C5a C 8.2292 -14.8954
31 C1b C 7.0463 -14.2123
32 O5a O 8.2289 -16.3097
33 O2a O 5.8527 -14.9015
34 C1c C 4.6645 -14.2154
35 X F 3.4736 -14.9030
36 X F 4.6644 -12.8102
37 C1a C 12.0624 -14.9102
BOND 40
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 2 7 1
8 4 8 1
9 5 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 16 20 1
23 19 21 1
24 17 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 22 26 1
30 26 27 1
31 6 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 30 32 2
36 31 33 1
37 33 34 1
38 34 35 1
39 34 36 1
40 28 37 1 #Up
|
|---|
