| Entry |
|
|---|
| Name |
Axelopran (USAN/INN) |
|---|
| Formula |
C26H39N3O4
|
|---|
| Exact mass |
457.2941
|
|---|
| Mol weight |
457.6056
|
|---|
| 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
D10740 Axelopran (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1x C 18.9263 -16.0275
2 C1x C 20.0784 -10.2669
3 C1x C 20.0784 -11.6223
4 C1x C 21.2522 -12.3000
5 C1y C 22.4262 -11.6223
6 C1x C 22.4262 -10.2669
7 C1x C 21.2522 -9.5892
8 C1b C 21.2522 -13.6554
9 C1b C 22.4262 -14.3332
10 N1c N 23.6000 -13.6554
11 C1b C 23.6000 -12.3000
12 C5a C 24.7738 -14.3332
13 C1c C 25.9477 -13.6554
14 C1b C 27.1216 -14.3332
15 O1a O 28.2953 -13.6554
16 N1y N 20.0784 -14.3332
17 C1y C 19.5244 -16.7946
18 C1y C 20.4292 -15.6425
19 C1x C 18.2389 -17.1215
20 C1x C 21.2643 -16.1169
21 C1x C 20.4948 -17.0657
22 C1y C 21.5850 -18.2376
23 C8y C 21.5850 -19.5930
24 C8x C 20.3933 -20.2809
25 C8x C 20.3930 -21.6363
26 C8x C 21.5669 -22.3143
27 C8y C 22.7585 -21.6265
28 C8x C 22.7588 -20.2710
29 N1a N 23.9321 -23.6599
30 C5a C 23.9323 -22.3044
31 O5a O 24.7738 -15.6886
32 O5a O 25.1062 -21.6267
33 O1a O 25.9477 -12.3000
BOND 36
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
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