| Entry |
|
|---|
| Name |
Ketobemidone hydrochloride;
Ketogan (TN) |
|---|
| Formula |
C15H21NO2. HCl
|
|---|
| Exact mass |
283.1339
|
|---|
| Mol weight |
283.79
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Analgesic
DG01984 Opioid analgesics
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic |
|---|
| Comment |
Phenylpiperidine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02A OPIOIDS
N02AB Phenylpiperidine derivatives
N02AB01 Ketobemidone
D08101 Ketobemidone hydrochloride
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00815 Ketobemidone
D08101 Ketobemidone hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D08101 Ketobemidone hydrochloride
OPRK1
D08101 Ketobemidone hydrochloride
OPRD1
D08101 Ketobemidone hydrochloride
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00815 Ketobemidone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C1z C 24.7800 -18.6900
2 C8y C 23.5900 -19.3200
3 C5a C 25.9700 -19.3200
4 C1x C 23.5900 -17.9200
5 C1x C 25.9700 -17.9200
6 C8x C 23.5900 -20.7200
7 C8x C 22.3300 -18.6200
8 C1b C 27.1600 -18.6900
9 O5a O 25.9700 -20.7900
10 C1x C 23.5900 -16.5900
11 C1x C 25.9700 -16.5900
12 C8x C 22.3300 -21.4900
13 C8y C 21.1400 -19.3200
14 N1y N 24.7800 -15.7500
15 C8x C 21.1400 -20.7200
16 C1a C 24.7800 -14.3500
17 O1a O 19.9500 -18.6900
18 C1a C 28.4200 -19.3900
19 X Cl 31.1500 -16.9400
BOND 19
1 1 3 1
2 1 4 1
3 1 5 1
4 2 6 1
5 2 7 2
6 3 8 1
7 3 9 2
8 4 10 1
9 5 11 1
10 6 12 2
11 7 13 1
12 10 14 1
13 12 15 1
14 14 16 1
15 11 14 1
16 13 15 2
17 13 17 1
18 1 2 1
19 8 18 1
|
|---|
