| Entry |
|
|---|
| Name |
Asalhydromorphone (USAN) |
|---|
| Formula |
C35H31NO9
|
|---|
| Exact mass |
609.1999
|
|---|
| Mol weight |
609.6219
|
|---|
| 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
D11291 Asalhydromorphone (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 45
1 O2x O 18.6317 -17.8563
2 C8y C 17.2626 -14.5021
3 C8y C 17.9471 -15.7342
4 C1z C 19.3162 -15.7342
5 C1y C 20.0007 -14.5021
6 C1y C 19.3162 -13.3384
7 C1x C 17.9471 -13.3384
8 C8x C 15.8935 -14.5021
9 C8x C 15.2090 -15.7342
10 C8y C 15.8935 -16.8979
11 C8y C 17.2626 -16.8979
12 C1y C 20.0007 -16.8979
13 C2y C 21.3698 -16.8979
14 C2x C 22.0543 -15.7342
15 C1x C 21.3698 -14.5021
16 C1x C 18.6317 -14.5486
17 N1y N 20.0007 -12.1528
18 C1a C 20.0007 -10.7837
19 C1x C 18.6317 -12.1528
20 O7a O 22.0496 -18.0864
21 C7a C 23.4231 -18.0921
22 O6a O 24.1260 -16.8866
23 C8y C 24.0898 -19.2576
24 C8x C 23.4191 -20.4085
25 C8x C 24.0989 -21.5969
26 C8x C 25.4679 -21.6024
27 C8x C 26.1386 -20.4515
28 C8y C 25.4588 -19.1947
29 O7a O 26.1240 -18.0188
30 C7a C 27.4931 -18.0188
31 O6a O 28.1584 -19.1720
32 C1a C 28.1810 -16.8280
33 O7a O 15.2138 -18.0864
34 C7a C 13.8402 -18.0921
35 C8y C 13.1373 -16.8866
36 O6a O 13.1736 -19.2576
37 C8x C 13.8163 -15.6989
38 C8x C 13.1266 -14.5163
39 C8x C 11.7575 -14.5221
40 C8x C 11.0786 -15.7099
41 C8y C 11.7684 -16.8926
42 O7a O 11.0912 -18.0774
43 C7a C 9.7329 -18.0832
44 O6a O 9.0338 -16.8845
45 C1a C 9.0626 -19.2555
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
|
|---|
