| Entry |
|
|---|
| Name |
Benzhydrocodone hydrochloride (USAN) |
|---|
| Formula |
C25H25NO4. HCl
|
|---|
| Exact mass |
439.1550
|
|---|
| Mol weight |
439.93
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist |
|---|
| Comment |
Active form of prodrug: Hydrocodone [DR: D08045]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01850 Benzhydrocodone
D10692 Benzhydrocodone hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01850 Benzhydrocodone
D10692 Benzhydrocodone hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10692 Benzhydrocodone hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10692
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01850 Benzhydrocodone
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01850 Benzhydrocodone
Prodrugs [br08324.html]
DG01850
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 31
1 N1y N 25.1300 -15.9600
2 C1a C 26.1800 -17.0800
3 C8y C 20.5800 -12.0400
4 C8y C 20.5800 -13.3000
5 C8y C 21.7000 -14.0000
6 C8y C 22.8200 -13.3000
7 C8x C 22.8200 -12.0400
8 C8x C 21.7000 -11.4100
9 C1z C 21.7000 -15.3300
10 C1y C 22.8200 -16.0300
11 C1y C 24.0100 -15.3300
12 C1x C 24.0100 -14.0000
13 C1y C 20.5800 -16.0300
14 C2y C 20.5800 -17.3600
15 C2x C 21.7000 -18.0600
16 C1x C 22.8200 -17.3600
17 O2x O 19.6700 -14.6300
18 O2a O 19.3900 -11.4100
19 C1x C 22.6800 -14.4200
20 C1x C 25.1300 -14.4200
21 C1a C 18.2000 -11.9700
22 O7a O 19.3900 -18.0600
23 C7a C 19.3900 -19.3200
24 C8y C 18.2000 -20.0200
25 O6a O 20.5800 -20.0200
26 C8x C 17.0100 -19.3200
27 C8x C 15.8200 -20.0200
28 C8x C 15.8200 -21.4200
29 C8x C 17.0100 -22.1200
30 C8x C 18.2000 -21.4200
31 X Cl 28.7700 -16.0300
BOND 35
1 1 2 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 7 1
6 7 8 2
7 3 8 1
8 5 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 6 12 1
13 9 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 10 16 1
18 4 17 1
19 3 18 1
20 9 19 1 #Up
21 20 19 1
22 18 21 1
23 22 23 1
24 23 24 1
25 23 25 2
26 24 26 2
27 26 27 1
28 27 28 2
29 28 29 1
30 29 30 2
31 24 30 1
32 14 22 1
33 13 17 1
34 1 20 1
35 11 1 1 #Up
|
|---|