| Entry |
|
|---|
| Name |
Domperidone maleate;
Domperidone (TN) |
|---|
| Formula |
C22H24ClN5O2. C4H4O4
|
|---|
| Exact mass |
541.1728
|
|---|
| Mol weight |
541.9834
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
Gastrointestinal agent
DG01763 Propulsive
DG01762 Antiemetic
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00057): | D01745<JP> |
|
|---|
| Efficacy |
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist |
|---|
| Comment |
Benzamide derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| 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
A03FA03 Domperidone
D07868 Domperidone maleate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00057 Domperidone
D07868 Domperidone maleate
Gastrointestinal agent
DG01763 Propulsive
DG00057 Domperidone
D07868 Domperidone maleate
DG01762 Antiemetic
DG00057 Domperidone
D07868 Domperidone maleate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00057 Domperidone
D07868 Domperidone maleate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D07868 Domperidone maleate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07868
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00057 Domperidone
Gastrointestinal agent
DG01763 Propulsive
DG00057 Domperidone
DG01762 Antiemetic
DG00057 Domperidone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00057 Domperidone
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C2b C 22.0446 -18.6872
2 C2b C 20.7148 -18.6872
3 C6a C 19.9449 -19.8771
4 O6a O 18.5452 -19.8771
5 O6a O 20.6448 -21.1369
6 C6a C 22.7445 -19.9470
7 O6a O 22.0446 -21.1369
8 O6a O 24.1442 -19.9642
9 C1x C 7.4200 -14.9800
10 C1y C 7.4200 -16.4500
11 C1x C 8.6100 -17.1500
12 C1x C 9.8000 -16.4500
13 N1y N 9.8000 -14.9800
14 C1x C 8.6100 -14.2800
15 N4y N 6.1600 -17.1500
16 C1b C 11.0600 -14.2800
17 C1b C 12.2500 -14.9800
18 C1b C 13.4400 -14.2800
19 N4y N 14.6300 -14.9800
20 C8y C 5.0400 -16.3100
21 N4x N 3.9200 -17.1500
22 C8y C 4.4100 -18.4100
23 C8y C 5.8100 -18.4100
24 C8x C 3.7100 -19.7400
25 C8y C 4.4800 -20.8600
26 C8x C 5.8800 -20.8600
27 C8x C 6.5100 -19.6700
28 X Cl 3.7800 -22.0500
29 O5x O 5.0400 -14.9100
30 C8y C 15.0500 -16.3800
31 N4x N 16.4500 -16.3800
32 C8y C 16.9400 -15.0500
33 C8y C 15.8200 -14.2100
34 O5x O 14.2100 -17.5000
35 C8x C 18.3400 -14.3500
36 C8x C 18.3400 -12.9500
37 C8x C 17.0800 -12.2500
38 C8x C 15.8200 -12.9500
BOND 41
1 1 2 2
2 2 3 1
3 3 4 1
4 3 5 2
5 1 6 1
6 6 7 1
7 6 8 2
8 9 10 1
9 10 11 1
10 11 12 1
11 12 13 1
12 13 14 1
13 9 14 1
14 10 15 1
15 13 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 15 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 15 23 1
24 22 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 23 27 2
29 25 28 1
30 20 29 2
31 19 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 19 33 1
36 30 34 2
37 32 35 2
38 35 36 1
39 36 37 2
40 37 38 1
41 33 38 2
|
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