| Entry |
|
|---|
| Name |
Diphenoxylate (INN) |
|---|
| Formula |
C30H32N2O2
|
|---|
| Exact mass |
452.2464
|
|---|
| Mol weight |
452.59
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidiarrheal, Antiperistaltic, Opioid receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07D ANTIPROPULSIVES
A07DA Antipropulsives
A07DA01 Diphenoxylate
D07861 Diphenoxylate (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG00090 Diphenoxylate
D07861 Diphenoxylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07861 Diphenoxylate (INN)
Narcotics and psychotropics in Japan [br08308.html]
Narcotics by Control Act Article 2 Table 1 (76 substances)
D07861
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG00090 Diphenoxylate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8x C 20.0200 -21.9100
2 C8x C 20.0200 -23.3100
3 C8x C 21.2100 -24.0100
4 C8x C 22.4000 -23.3100
5 C8y C 22.4000 -21.9100
6 C8x C 21.2100 -21.2800
7 C8x C 24.7800 -23.3100
8 C8y C 24.7800 -21.9100
9 C1d C 23.5900 -21.2800
10 C8x C 25.9000 -24.0100
11 C8x C 27.0900 -23.3100
12 C8x C 27.0900 -21.9100
13 C8x C 25.9000 -21.2800
14 C1b C 23.5900 -19.8800
15 C1b C 24.7800 -19.1800
16 C3b C 22.4000 -20.5800
17 N3a N 21.2100 -19.8800
18 N1y N 24.7800 -17.8500
19 C1x C 25.9000 -17.1500
20 C1x C 25.9000 -15.7500
21 C1z C 24.7100 -15.1200
22 C1x C 23.5900 -15.7500
23 C1x C 23.5900 -17.1500
24 C7a C 24.7100 -13.7200
25 O6a O 23.5200 -13.0200
26 O7a O 25.9000 -13.0200
27 C8y C 22.5400 -13.8600
28 C8x C 22.5400 -12.4600
29 C8x C 21.3500 -11.8300
30 C8x C 20.1600 -12.4600
31 C8x C 20.1600 -13.8600
32 C8x C 21.3500 -14.5600
33 C1b C 27.0900 -13.7200
34 C1a C 28.2800 -13.0200
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 15 14 1
17 9 16 1
18 16 17 3
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 21 24 1
27 24 25 2
28 24 26 1
29 21 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 26 33 1
37 33 34 1
|
|---|
