| Entry |
|
|---|
| Name |
Aripiprazole hydrate (JAN);
Aripiprazole monohydrate;
Abilify maintena (TN) |
|---|
| Product |
|
|---|
| Formula |
C23H27Cl2N3O2. H2O
|
|---|
| Exact mass |
465.1586
|
|---|
| Mol weight |
466.40
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Therapeutic category: | 1179 |
| Product (DG00906): | D01164<JP/US> D10364<US> D10516<JP/US> |
|
|---|
| Efficacy |
Antipsychotic, Dopamine receptor partial agonist, Serotonin receptor agonist/antagonist |
|---|
| Disease |
|
|---|
| Comment |
Phenylpiperazine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05A ANTIPSYCHOTICS
N05AX Other antipsychotics
N05AX12 Aripiprazole
D10516 Aripiprazole hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
Antipsychotics
2nd Generation/Atypical
Aripiprazole
D10516 Aripiprazole hydrate (JAN)
Bipolar Agents
Bipolar Agents, Other
Aripiprazole
D10516 Aripiprazole hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
1 Agents affecting nervous system and sensory organs
11 Agents affecting central nervous system
117 Psychotropics
1179 Others
D10516 Aripiprazole hydrate (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
DG00906 Aripiprazole
D10516 Aripiprazole hydrate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00906 Aripiprazole
D10516 Aripiprazole hydrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00906 Aripiprazole
D10516 Aripiprazole hydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D10516 Aripiprazole hydrate (JAN) <JP/US>
DRD3
D10516 Aripiprazole hydrate (JAN) <JP/US>
Serotonin
HTR1A
D10516 Aripiprazole hydrate (JAN) <JP/US>
HTR2A
D10516 Aripiprazole hydrate (JAN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10516
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
DG00906 Aripiprazole
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00906 Aripiprazole
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00906 Aripiprazole
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 16.8000 -18.4800
2 C8x C 16.8000 -17.0800
3 C8x C 15.6100 -16.3800
4 C8x C 15.6100 -19.1800
5 C8y C 14.3500 -18.4800
6 C8y C 14.3500 -17.0800
7 C1x C 11.9700 -17.0100
8 C5x C 11.9700 -18.4100
9 N1x N 13.1600 -19.1800
10 O5x O 10.7100 -19.1100
11 O2a O 17.9900 -19.1800
12 C1b C 19.2500 -18.4800
13 C1b C 20.4400 -19.1800
14 C1b C 21.6300 -18.4800
15 C1b C 22.8900 -19.1800
16 N1y N 24.0800 -18.4800
17 C1x C 25.2700 -19.1800
18 C1x C 26.5300 -18.4800
19 N1y N 26.5300 -17.0800
20 C1x C 25.2700 -16.3800
21 C1x C 24.1500 -17.0800
22 C8y C 27.7200 -16.3800
23 C8y C 28.9100 -17.0800
24 C8y C 30.1700 -16.3800
25 C8x C 30.1700 -14.9800
26 C8x C 28.9100 -14.2800
27 C8x C 27.7200 -14.9800
28 X Cl 28.9100 -18.4800
29 X Cl 31.3600 -17.0800
30 C1x C 13.1600 -16.3800
31 O0 O 20.3000 -14.8400
BOND 33
1 5 4 2
2 14 15 1
3 5 6 1
4 15 16 1
5 30 7 1
6 7 8 1
7 8 9 1
8 9 5 1
9 4 1 1
10 16 17 1
11 17 18 1
12 18 19 1
13 19 20 1
14 20 21 1
15 21 16 1
16 8 10 2
17 19 22 1
18 1 11 1
19 1 2 2
20 11 12 1
21 2 3 1
22 22 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 26 27 2
27 27 22 1
28 12 13 1
29 23 28 1
30 3 6 2
31 24 29 1
32 13 14 1
33 6 30 1
|
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