| Entry |
|
|---|
| Name |
Clebopride malate (JP18);
Clast (TN) |
|---|
| Formula |
C20H25ClN3O2. C4H5O5
|
|---|
| Exact mass |
507.1772
|
|---|
| Mol weight |
507.9639
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
Gastrointestinal agent
DG01763 Propulsive
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-emetic, Prokinetic, Dopamine receptor antagonist |
|---|
| Comment |
Benzamide derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07213 | Dopamine receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03F PROPULSIVES
A03FA Propulsives
A03FA06 Clebopride
D01742 Clebopride malate (JP18)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00059 Clebopride
D01742 Clebopride malate
Gastrointestinal agent
DG01763 Propulsive
DG00059 Clebopride
D01742 Clebopride malate
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
DG00059 Clebopride
D01742 Clebopride malate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D01742 Clebopride malate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01742 Clebopride malate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00059 Clebopride
Gastrointestinal agent
DG01763 Propulsive
DG00059 Clebopride
DG01762 Antiemetic
DG01783 Benzamide type antiemetic
DG00059 Clebopride
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 C8x C 21.3500 -16.5900
2 C8x C 21.3500 -17.9900
3 C8x C 20.1600 -18.6900
4 C8y C 18.9700 -17.9900
5 C8x C 18.9700 -16.5900
6 C8x C 20.1600 -15.8900
7 C1b C 17.7800 -18.6900
8 N2y N 16.5200 -17.9900 #+
9 C1x C 15.3300 -18.6900
10 C1x C 14.1400 -17.9900
11 C1y C 14.1400 -16.5900
12 C1x C 15.3300 -15.8900
13 C1x C 16.5200 -16.5900
14 N1b N 12.8800 -15.8900
15 C5a C 11.6200 -16.5900
16 C8y C 10.4300 -15.8900
17 O5a O 11.6200 -17.9900
18 C8x C 9.2400 -16.5900
19 C8y C 7.9800 -15.8900
20 C8y C 7.9800 -14.4200
21 C8x C 9.2400 -13.7200
22 C8y C 10.4300 -14.4200
23 O2a O 11.6200 -13.7200
24 N1a N 6.7900 -13.7200
25 X Cl 6.7900 -16.5900
26 C1a C 11.6200 -12.3200
27 C1b C 28.0000 -16.5200
28 C1c C 26.8100 -15.8200
29 C6a C 29.2600 -15.8200
30 C6a C 25.6200 -16.5200
31 O6a O 29.2600 -14.4200
32 O6a O 30.4500 -16.5200
33 O6a O 25.6200 -17.9900
34 O6a O 24.3600 -15.8200 #-
35 O1a O 26.8100 -14.4200
BOND 36
1 15 17 2
2 7 8 1
3 1 2 2
4 2 3 1
5 3 4 2
6 4 5 1
7 16 18 2
8 18 19 1
9 19 20 2
10 20 21 1
11 21 22 2
12 22 16 1
13 5 6 2
14 22 23 1
15 8 9 1
16 9 10 1
17 20 24 1
18 10 11 1
19 19 25 1
20 11 12 1
21 12 13 1
22 13 8 1
23 6 1 1
24 11 14 1
25 14 15 1
26 4 7 1
27 15 16 1
28 23 26 1
29 27 28 1
30 27 29 1
31 28 30 1
32 29 31 2
33 29 32 1
34 30 33 2
35 30 34 1
36 28 35 1
|
|---|
