| Entry |
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| Name |
Loperamide (INN);
Diamide (TN) |
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| Formula |
C29H33ClN2O2
|
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| Exact mass |
476.2231
|
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| Mol weight |
477.0375
|
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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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| Other map |
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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
A07DA03 Loperamide
D08144 Loperamide (INN)
Risk category of Japanese OTC drugs [BR:br08312]
Designated second-class OTC drugs
Inorganic and organic chemicals
Loperamide
D08144 Loperamide (INN)
Second-class OTC drugs
Inorganic and organic chemicals
Loperamide
D08144 Loperamide (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG00092 Loperamide
D08144 Loperamide
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00092 Loperamide
D08144 Loperamide
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00092 Loperamide
D08144 Loperamide
Transporter substrate
DG01665 ABCB1 substrate
DG00092 Loperamide
D08144 Loperamide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D08144 Loperamide (INN)
OPRK1
D08144 Loperamide (INN)
OPRD1
D08144 Loperamide (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08144
Drug transporters
D08144
Rx-to-OTC switch list in the USA [br08315.html]
D08144
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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| KCF data |
ATOM 34
1 C8x C 21.7000 -23.1700
2 C8x C 21.7000 -24.5000
3 C8x C 22.8900 -25.2000
4 C8x C 24.0800 -24.5000
5 C8y C 24.0800 -23.1700
6 C8x C 22.8900 -22.5400
7 C8x C 26.3900 -24.5000
8 C8y C 26.3900 -23.1700
9 C1d C 25.2000 -22.5400
10 C8x C 27.5800 -25.2000
11 C8x C 28.7000 -24.5000
12 C8x C 28.7000 -23.1700
13 C8x C 27.5800 -22.5400
14 C5a C 21.9800 -20.8600
15 N1c N 20.8600 -21.5600
16 O5a O 21.9800 -19.5300
17 C1b C 25.2000 -21.1400
18 C1b C 26.4600 -20.4400
19 N1y N 26.4600 -19.0400
20 C1x C 27.6500 -18.3400
21 C1x C 27.6500 -16.9400
22 C1z C 26.4600 -16.2400
23 C1x C 25.2000 -16.9400
24 C1x C 25.2000 -18.3400
25 C1a C 19.6000 -20.9300
26 C1a C 20.8600 -22.9600
27 C8y C 26.4600 -14.8400
28 C8x C 27.7200 -14.1400
29 C8x C 27.7200 -12.7400
30 C8y C 26.5300 -12.0400
31 C8x C 25.2700 -12.7400
32 C8x C 25.2700 -14.1400
33 O1a O 27.6500 -15.5400
34 X Cl 26.5300 -10.6400
BOND 37
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
37 30 34 1
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