| Entry |
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| Name |
Loperamide oxide (INN) |
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| Formula |
C29H33ClN2O3
|
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| Exact mass |
492.218
|
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| Mol weight |
493.0369
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG00092): | D00729<JP/US> |
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| Efficacy |
Antidiarrheal, Antiperistaltic, Opioid receptor agonist |
|---|
| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C8 [HSA: 1558]
Transporter: ABCB1 [HSA: 5243]
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07D ANTIPROPULSIVES
A07DA Antipropulsives
A07DA05 Loperamide oxide
D07113 Loperamide oxide (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG00092 Loperamide
D07113 Loperamide oxide
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00092 Loperamide
D07113 Loperamide oxide
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00092 Loperamide
D07113 Loperamide oxide
Transporter substrate
DG01665 ABCB1 substrate
DG00092 Loperamide
D07113 Loperamide oxide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07113 Loperamide oxide (INN)
OPRK1
D07113 Loperamide oxide (INN)
OPRD1
D07113 Loperamide oxide (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07113
Drug transporters
D07113
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG00092 Loperamide
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00092 Loperamide
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00092 Loperamide
Transporter substrate
DG01665 ABCB1 substrate
DG00092 Loperamide
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 35
1 C8x C 24.4300 -23.6600
2 C8x C 24.4300 -24.9900
3 C8x C 25.6200 -25.6900
4 C8x C 26.8100 -24.9900
5 C8y C 26.8100 -23.6600
6 C8x C 25.6200 -23.0300
7 C8x C 29.1200 -24.9900
8 C8y C 29.1200 -23.6600
9 C1d C 27.9300 -23.0300
10 C8x C 30.3100 -25.6900
11 C8x C 31.4300 -24.9900
12 C8x C 31.4300 -23.6600
13 C8x C 30.3100 -23.0300
14 C5a C 24.7100 -21.3500
15 N1c N 23.5900 -22.0500
16 O5a O 24.7100 -20.0200
17 C1b C 27.9300 -21.6300
18 C1b C 29.1900 -20.9300
19 N2y N 29.1900 -19.5300 #+
20 C1x C 30.3800 -18.8300
21 C1x C 30.3800 -17.4300
22 C1z C 29.1900 -16.7300
23 C1x C 27.9300 -17.4300
24 C1x C 27.9300 -18.8300
25 C1a C 22.3300 -21.4200
26 C1a C 23.5900 -23.4500
27 C8y C 29.1900 -15.3300
28 C8x C 30.4500 -14.6300
29 C8x C 30.4500 -13.2300
30 C8y C 29.2600 -12.5300
31 C8x C 28.0000 -13.2300
32 C8x C 28.0000 -14.6300
33 O1a O 30.3800 -16.0300
34 X Cl 29.2600 -11.1300
35 O3a O 30.2768 -20.4125 #-
BOND 38
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 14 16 2
18 9 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 15 25 1
28 15 26 1
29 22 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 27 32 1
36 22 33 1 #Down
37 30 34 1
38 19 35 1
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