| Entry |
|
|---|
| Name |
Lotamilast (USAN/INN) |
|---|
| Formula |
C26H24N4O5
|
|---|
| Exact mass |
472.1747
|
|---|
| Mol weight |
472.49
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Phosphodiesterase IV inhibior |
|---|
| Comment |
Topical agent for treatment of atopic dermatitis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D11305 Lotamilast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 11.5500 -18.9000
2 C8x C 12.7400 -18.2000
3 C8y C 14.0000 -18.9000
4 C8x C 14.0000 -20.3000
5 C8x C 12.8100 -21.0000
6 C8x C 11.5500 -20.3000
7 N1b N 15.1900 -18.2000
8 C5a C 16.3800 -18.9000
9 C8y C 17.5700 -18.2000
10 O5a O 16.3800 -20.3000
11 C8x C 17.5700 -16.8000
12 C8x C 18.8300 -16.1000
13 C8y C 20.0200 -16.8000
14 C8x C 20.0200 -18.2000
15 C8x C 18.8300 -18.9000
16 C7a C 21.2100 -16.1000
17 O7a O 22.4000 -16.8000
18 O6a O 21.2100 -14.7000
19 C1a C 23.5900 -16.1000
20 C8y C 10.3347 -18.2049
21 N5x N 10.3289 -16.8003
22 C8y C 9.1136 -16.1053
23 N5x N 7.9041 -16.8103
24 C8y C 7.9099 -18.2149
25 C8y C 9.1252 -18.9099
26 C8x C 6.7003 -18.9199
27 C8y C 6.7061 -20.3199
28 C8y C 7.9214 -21.0149
29 C8x C 9.1310 -20.3099
30 N1b N 9.1079 -14.7000
31 C1a C 7.8867 -14.0016
32 O2a O 7.9270 -22.3999
33 C1a C 9.1294 -23.0878
34 O2a O 5.5156 -21.0137
35 C1a C 4.3055 -20.3214
BOND 38
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 3 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 9 15 1
17 13 16 1
18 16 17 1
19 16 18 2
20 17 19 1
21 1 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 24 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 25 29 1
33 22 30 1
34 30 31 1
35 28 32 1
36 32 33 1
37 27 34 1
38 34 35 1
|
|---|
