| Entry |
|
|---|
| Name |
Methylsamidorphan (USAN) |
|---|
| Formula |
C22H29N2O4
|
|---|
| Exact mass |
385.2127
|
|---|
| Mol weight |
385.48
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Analgesic
DG01586 Opioid receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Laxative, Opioid receptor antagonist |
|---|
| Comment |
Opioid induced constipation
|
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01830 Methylsamidorphan
D10371 Methylsamidorphan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10371 Methylsamidorphan (USAN)
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01830 Methylsamidorphan
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1x C 20.4400 -18.6200
2 C5x C 20.4400 -19.9500
3 C1x C 21.6300 -20.6500
4 C1x C 22.8900 -19.9500
5 C1z C 22.8900 -18.6200
6 C1z C 21.6300 -17.9200
7 C1y C 24.0100 -17.9200
8 C1x C 24.0100 -16.5200
9 C8y C 22.8900 -15.8200
10 C8y C 21.6300 -16.5200
11 C8x C 22.8900 -14.4900
12 C8x C 21.6300 -13.7900
13 C8y C 20.4400 -14.4900
14 C8y C 20.4400 -15.8200
15 O5x O 19.2500 -20.6500
16 O1a O 24.0100 -19.2500
17 N2y N 25.2000 -18.6200 #+
18 C1x C 22.8900 -17.2200
19 C1x C 25.2000 -17.2200
20 C1b C 26.6000 -18.6200
21 C1y C 27.2300 -19.7400
22 C1x C 28.3500 -20.3000
23 C1x C 27.2300 -21.0700
24 O1a O 19.2500 -16.5200
25 C5a C 19.2500 -13.7900
26 O5a O 18.0600 -14.4900
27 N1a N 19.2500 -12.3900
28 C1a C 26.3900 -16.8224
BOND 32
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 6 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 7 17 1
20 6 18 1 #Up
21 17 19 1
22 18 19 1
23 17 20 1 #Up
24 20 21 1
25 22 21 1
26 21 23 1
27 22 23 1
28 14 24 1
29 13 25 1
30 25 26 2
31 25 27 1
32 17 28 1 #Down
|
|---|
