| Entry |
|
|---|
| Name |
Axelopran sulfate (USAN) |
|---|
| Formula |
C26H39N3O4. H2SO4
|
|---|
| Exact mass |
555.2614
|
|---|
| Mol weight |
555.684
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Laxative, Opioid receptor antagonist |
|---|
| Comment |
Treatment of opioid-induced constipation
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10690 Axelopran sulfate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C1x C 12.3924 -15.5955
2 C1x C 13.5488 -9.8134
3 C1x C 13.5488 -11.1739
4 C1x C 14.7270 -11.8541
5 C1y C 15.9053 -11.1739
6 C1x C 15.9053 -9.8134
7 C1x C 14.7270 -9.1331
8 C1b C 14.7270 -13.2146
9 C1b C 15.9053 -13.8949
10 N1c N 17.0835 -13.2146
11 C1b C 17.0835 -11.8541
12 C5a C 18.2617 -13.8949
13 C1c C 19.4400 -13.2146
14 C1b C 20.6182 -13.8949
15 O1a O 21.7964 -13.2146
16 N1y N 13.5488 -13.8949
17 C1y C 12.9927 -16.3655
18 C1y C 13.9009 -15.2090
19 C1x C 11.7025 -16.6935
20 C1x C 14.7391 -15.6852
21 C1x C 13.9668 -16.6376
22 C1y C 15.0611 -17.8138
23 C8y C 15.0611 -19.1743
24 C8x C 13.8649 -19.8647
25 C8x C 13.8646 -21.2252
26 C8x C 15.0428 -21.9057
27 C8y C 16.2389 -21.2153
28 C8x C 16.2392 -19.8548
29 N1a N 17.4168 -23.2563
30 C5a C 17.4170 -21.8958
31 O5a O 18.2617 -15.2554
32 O5a O 18.5953 -21.2155
33 O1a O 19.4400 -11.8541
34 O1d O 24.2288 -17.2962
35 S4a S 24.2288 -18.6567
36 O1d O 25.5893 -18.6567
37 O1d O 22.8683 -18.6567
38 O1d O 24.2288 -20.0172
BOND 40
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 5 11 1
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 8 16 1
16 16 17 1
17 16 18 1
18 1 18 1
19 1 19 1
20 19 17 1
21 18 20 1
22 17 21 1
23 21 22 1
24 20 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 29 30 1
33 27 30 1
34 12 31 2
35 30 32 2
36 13 33 1 #Up
37 34 35 2
38 35 36 1
39 35 37 1
40 35 38 2
|
|---|
