| Entry |
|
|---|
| Name |
Idrebormilast (USAN) |
|---|
| Formula |
C18H22BNO4
|
|---|
| Exact mass |
327.1642
|
|---|
| Mol weight |
327.18
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Topical treatment of atopic dermatitis and plaque psoriasis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04928 | Parathyroid hormone synthesis, secretion and action |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D12822 Idrebormilast (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8x C 22.1900 -15.7500
2 C8y C 22.1900 -14.3500
3 C8x C 21.0000 -13.6500
4 C8y C 19.7400 -14.3500
5 C8x C 19.7400 -15.7500
6 N5x N 21.0000 -16.4500
7 C1y C 23.3800 -13.6500
8 C1x C 24.6400 -14.2100
9 Z B 25.6200 -13.1600
10 O2x O 24.9200 -11.9700
11 C1x C 23.5200 -12.2500
12 O1a O 27.0200 -13.3700
13 C8y C 18.5500 -13.6500
14 C8x C 18.5500 -12.2500
15 C8x C 17.2900 -11.5500
16 C8y C 16.1000 -12.2500
17 C8y C 16.1000 -13.6500
18 C8x C 17.2900 -14.3500
19 O2a O 14.9100 -11.5500
20 C1a C 13.7200 -12.2500
21 O2a O 14.9100 -14.3500
22 C1b C 14.9100 -15.7500
23 C1b C 13.6976 -16.4500
24 C1a C 12.5021 -15.7596
BOND 26
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 7 2 1 #Down
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 9 12 1
14 4 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 19 20 1
23 17 21 1
24 21 22 1
25 22 23 1
26 23 24 1
|
|---|
