| Entry |
|
|---|
| Name |
Asalhydromorphone hydrochloride (USAN) |
|---|
| Formula |
C35H31NO9. HCl
|
|---|
| Exact mass |
645.1766
|
|---|
| Mol weight |
646.0829
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist |
|---|
| Comment |
Treatment of moderate to severe pain
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D11292 Asalhydromorphone hydrochloride (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 O2x O 18.6497 -17.8114
2 C8y C 17.3226 -14.4586
3 C8y C 17.9512 -15.7159
4 C1z C 19.3482 -15.7159
5 C1y C 20.0467 -14.4586
6 C1y C 19.3482 -13.3411
7 C1x C 17.9512 -13.3411
8 C8x C 15.9256 -14.4586
9 C8x C 15.2271 -15.7159
10 C8y C 15.9256 -16.8335
11 C8y C 17.3226 -16.8335
12 C1y C 20.0467 -16.8335
13 C2y C 21.3738 -16.8335
14 C2x C 22.0723 -15.7159
15 C1x C 21.3738 -14.4586
16 C1x C 18.6497 -14.5285
17 N1y N 20.0467 -12.1536
18 C1a C 20.0467 -10.7567
19 C1x C 18.6497 -12.1536
20 O7a O 22.0723 -18.0209
21 C7a C 23.4693 -18.0209
22 O6a O 24.1677 -16.8335
23 C8y C 24.0979 -19.2083
24 C8x C 23.4693 -20.3958
25 C8x C 24.0979 -21.5832
26 C8x C 25.4949 -21.5832
27 C8x C 26.1235 -20.3958
28 C8y C 25.4949 -19.1385
29 O7a O 26.1235 -17.9511
30 C7a C 27.5205 -17.9511
31 O6a O 28.1491 -19.1385
32 C1a C 28.2190 -16.7636
33 O7a O 15.2271 -18.0209
34 C7a C 13.9000 -18.0209
35 C8y C 13.2015 -16.8335
36 O6a O 13.2015 -19.2083
37 C8x C 13.8302 -15.6461
38 C8x C 13.2015 -14.4586
39 C8x C 11.8046 -14.4586
40 C8x C 11.1061 -15.6461
41 C8y C 11.8046 -16.8335
42 O7a O 11.1061 -18.0209
43 C7a C 9.7789 -18.0209
44 O6a O 9.0805 -16.8335
45 C1a C 9.0805 -19.2083
46 X Cl 27.9300 -12.3200
BOND 51
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 2 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 3 11 2
12 4 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 5 15 1
17 1 11 1
18 12 1 1 #Down
19 4 16 1 #Up
20 6 17 1 #Up
21 17 18 1
22 17 19 1
23 19 16 1
24 13 20 1
25 20 21 1
26 21 22 2
27 21 23 1
28 23 24 2
29 24 25 1
30 25 26 2
31 26 27 1
32 27 28 2
33 23 28 1
34 28 29 1
35 29 30 1
36 30 31 2
37 30 32 1
38 10 33 1
39 33 34 1
40 34 35 1
41 34 36 2
42 35 37 2
43 37 38 1
44 38 39 2
45 39 40 1
46 40 41 2
47 35 41 1
48 41 42 1
49 42 43 1
50 43 44 2
51 43 45 1
|
|---|
