Entry |
|
Name |
Samidorphan l-malate (USAN) |
Formula |
C21H26N2O4. C4H6O5
|
Exact mass |
504.2108
|
Mol weight |
504.5296
|
Structure |
|
Class |
Analgesic
DG01586 Opioid receptor antagonist
|
Remark |
Product (mixture): | D12117<US> |
|
Efficacy |
Antidepressant, Opioid receptor antagonist |
Comment |
oral opioid modulator
Treatment of addictive disorders
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01538 Samidorphan
D10163 Samidorphan l-malate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10163 Samidorphan l-malate (USAN)
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01538 Samidorphan
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 36
1 C1x C 20.3000 -24.7100
2 C5x C 20.3000 -26.0400
3 C1x C 21.4900 -26.7400
4 C1x C 22.7500 -26.0400
5 C1z C 22.7500 -24.7100
6 C1z C 21.4900 -24.0100
7 C1y C 23.8700 -24.0100
8 C1x C 23.8700 -22.6100
9 C8y C 22.7500 -21.9100
10 C8y C 21.4900 -22.6100
11 C8x C 22.7500 -20.5800
12 C8x C 21.4900 -19.8800
13 C8y C 20.3000 -20.5800
14 C8y C 20.3000 -21.9100
15 O5x O 19.1100 -26.7400
16 O1a O 23.8700 -25.3400
17 N1y N 25.0600 -24.7100
18 C1x C 22.7500 -23.3100
19 C1x C 25.0600 -23.3100
20 C1b C 26.4600 -24.7100
21 C1y C 27.0900 -25.8300
22 C1x C 28.2100 -26.3900
23 C1x C 27.0900 -27.1600
24 O1a O 19.1100 -22.6100
25 C5a C 19.1100 -19.8800
26 O5a O 17.9200 -20.5800
27 N1a N 19.1100 -18.4800
28 O6a O 29.7500 -22.4700
29 C6a C 30.9624 -23.1700
30 C1c C 32.1579 -22.4796
31 O6a O 30.9625 -24.5698
32 C1b C 33.3453 -23.1651
33 C6a C 34.5365 -22.4771
34 O6a O 35.7260 -23.1638
35 O6a O 34.5365 -21.0703
36 O1a O 32.1580 -21.0703
BOND 39
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 #Up
20 6 18 1 #Up
21 17 19 1
22 18 19 1
23 17 20 1
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 28 29 1
33 29 30 1
34 29 31 2
35 30 32 1
36 32 33 1
37 33 34 1
38 33 35 2
39 30 36 1 #Up
|