| Entry |
|
|---|
| Name |
Nalmefene (USAN/INN);
Selincro (TN) |
|---|
| Formula |
C21H25NO3
|
|---|
| Exact mass |
339.1834
|
|---|
| Mol weight |
339.4281
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Analgesic
DG01586 Opioid receptor antagonist
DG01587 Opioid receptor agonist/antagonist
|
|---|
| Remark |
| Product (DG00998): | D02104<US> D10812<JP> |
|
|---|
| Efficacy |
Antialcohol dependence, Narcotic antagonist, Opioid receptor partial agonist/antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
| map07224 | Opioid receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N07 OTHER NERVOUS SYSTEM DRUGS
N07B DRUGS USED IN ADDICTIVE DISORDERS
N07BB Drugs used in alcohol dependence
N07BB05 Nalmefene
D05111 Nalmefene (USAN/INN)
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG00998 Nalmefene
D05111 Nalmefene
DG01587 Opioid receptor agonist/antagonist
DG00998 Nalmefene
D05111 Nalmefene
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D05111 Nalmefene (USAN/INN)
OPRK1
D05111 Nalmefene (USAN/INN)
OPRD1
D05111 Nalmefene (USAN/INN)
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG00998 Nalmefene
DG01587 Opioid receptor agonist/antagonist
DG00998 Nalmefene
|
|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 25
1 C1z C 15.9094 -8.6246
2 C8y C 15.9094 -7.2929
3 C1z C 17.1009 -9.3254
4 C1y C 14.7880 -9.2553
5 C1x C 17.1009 -7.9938
6 C8y C 14.7880 -6.6621
7 C8y C 17.1009 -6.6621
8 C1y C 18.2223 -8.6246
9 C1x C 17.1009 -10.5870
10 O2x O 13.5264 -7.9237
11 C2y C 14.7880 -10.5870
12 C1x C 19.3437 -7.9938
13 C8y C 14.7880 -5.3304
14 C1x C 18.2223 -7.3630
15 C8x C 17.1009 -5.3304
16 N1y N 19.3437 -9.3254
17 C1x C 15.9094 -11.2879
18 C2a C 13.7367 -11.2879
19 C8x C 15.9795 -4.6996
20 O1a O 13.7367 -4.6996
21 O1a O 18.3624 -10.2366
22 C1b C 20.7454 -9.3254
23 C1y C 21.4463 -10.5169
24 C1x C 21.3941 -11.9203
25 C1x C 22.6135 -11.1917
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 2
18 13 19 2
19 13 20 1
20 6 10 1
21 8 14 1
22 11 17 1
23 12 16 1
24 15 19 1
25 3 21 1 #Up
26 16 22 1
27 22 23 1
28 23 24 1
29 23 25 1
30 24 25 1
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