| Entry |
|
|---|
| Name |
Tofimilast (INN/USAN) |
|---|
| Formula |
C18H21N5S
|
|---|
| Exact mass |
339.1518
|
|---|
| Mol weight |
339.46
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiasthmatic, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Treatment of asthma and chronic obstructive disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D09020 Tofimilast (INN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8y C 17.7100 -17.1500
2 C8y C 17.7100 -18.5500
3 C1x C 18.9224 -19.2500
4 C1x C 20.1349 -18.5500
5 N4y N 20.1349 -17.1500
6 C8y C 18.9224 -16.4500
7 N4y N 16.3785 -16.7174
8 N5x N 15.5556 -17.8500
9 C8y C 16.3785 -18.9826
10 C8y C 21.1753 -16.2132
11 N5x N 20.6059 -14.9342
12 N5x N 19.2135 -15.0806
13 C8y C 22.5753 -16.2132
14 S2x S 23.4226 -17.3801
15 C8x C 24.7941 -16.9348
16 C8x C 24.7945 -15.4928
17 C8x C 23.4232 -15.0468
18 C1y C 15.9497 -15.3978
19 C1x C 16.7750 -14.2617
20 C1x C 15.9496 -13.1257
21 C1x C 14.6142 -13.5597
22 C1x C 14.6142 -14.9639
23 C1b C 15.9497 -20.3022
24 C1a C 14.5906 -20.5911
BOND 28
1 1 2 2
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 2 9 1
11 5 10 1
12 10 11 2
13 11 12 1
14 6 12 2
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 2
19 16 17 1
20 13 17 2
21 7 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 9 23 1
28 23 24 1
|
|---|
