| Entry |
|
|---|
| Name |
Benzhydrocodone (USAN/INN) |
|---|
| Formula |
C25H25NO4
|
|---|
| Exact mass |
403.1784
|
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| Mol weight |
403.4703
|
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| Structure |
|
|---|
| Simcomp |
|
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| 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]
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Brite |
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01850 Benzhydrocodone
D10612 Benzhydrocodone
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01850 Benzhydrocodone
D10612 Benzhydrocodone
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10612 Benzhydrocodone (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10612
Prodrugs [br08324.html]
D10612
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
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 N1y N 22.7621 -15.4269
2 C1a C 23.7991 -16.5332
3 C8y C 18.1976 -11.5540
4 C8y C 18.1976 -12.7988
5 C8y C 19.3733 -13.4904
6 C8y C 20.4799 -12.7988
7 C8x C 20.4799 -11.5540
8 C8x C 19.3733 -10.8624
9 C1z C 19.3733 -14.8045
10 C1y C 20.4799 -15.4961
11 C1y C 21.6556 -14.8045
12 C1x C 21.6556 -13.4904
13 C1y C 18.1976 -15.4961
14 C2y C 18.1976 -16.8102
15 C2x C 19.3733 -17.5018
16 C1x C 20.4799 -16.8102
17 O2x O 17.2985 -14.1129
18 O2a O 17.0218 -10.8624
19 C1x C 20.3416 -13.9054
20 C1x C 22.7623 -13.9054
21 C1a C 15.8460 -11.4849
22 O7a O 17.0218 -17.5018
23 C7a C 17.0218 -18.8159
24 C8y C 15.8460 -19.5075
25 O6a O 18.1976 -19.5075
26 C8x C 14.6703 -18.8159
27 C8x C 13.4945 -19.5075
28 C8x C 13.4945 -20.8907
29 C8x C 14.6703 -21.5823
30 C8x C 15.8460 -20.8907
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
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