| Entry |
|
|---|
| Name |
Drotaverine (INN);
Drotin (TN) |
|---|
| Formula |
C24H31NO4
|
|---|
| Exact mass |
397.2253
|
|---|
| Mol weight |
397.51
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antispasmodic, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Papaverine [CPD: C06533] derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AD Papaverine and derivatives
A03AD02 Drotaverine
D07088 Drotaverine (INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D07088 Drotaverine (INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 16.8336 -13.3479
2 C8y C 16.8336 -14.7506
3 C2y C 18.0483 -15.4520
4 N1x N 19.2632 -14.7506
5 C1x C 19.2632 -13.3479
6 C1x C 18.0483 -12.6466
7 C8x C 15.6188 -12.6466
8 C8y C 14.4040 -13.3479
9 C8y C 14.4040 -14.7506
10 C8x C 15.6188 -15.4520
11 O2a O 13.1705 -12.6355
12 C1b C 11.9630 -13.3326
13 O2a O 13.1705 -15.4630
14 C1b C 11.9630 -14.7660
15 C2b C 18.0483 -16.8545
16 C8y C 19.2462 -17.5462
17 C8x C 19.2463 -18.9584
18 C8x C 20.4612 -19.6597
19 C8y C 21.6759 -18.9582
20 C8y C 21.6758 -17.5460
21 C8x C 20.4610 -16.8448
22 O2a O 22.8840 -16.8484
23 C1b C 24.0873 -17.5432
24 C1a C 25.2742 -16.8580
25 O2a O 22.8887 -19.6584
26 C1b C 24.0850 -18.9674
27 C1a C 25.2755 -19.6546
28 C1a C 10.7541 -15.4640
29 C1a C 10.7420 -12.6278
BOND 31
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 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 8 11 1
13 11 12 1
14 9 13 1
15 13 14 1
16 3 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 20 22 1
25 22 23 1
26 23 24 1
27 19 25 1
28 25 26 1
29 26 27 1
30 14 28 1
31 12 29 1
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