| Entry |
|
|---|
| Name |
Aripiprazole cavoxil (USAN) |
|---|
| Formula |
C30H39Cl2N3O4
|
|---|
| Exact mass |
575.2318
|
|---|
| Mol weight |
576.5544
|
|---|
| 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 |
| Product (DG00906): | D01164<JP/US> D10364<US> D10516<JP/US> |
|
|---|
| Efficacy |
Antipsychotic, Dopamine receptor partial agonist, Serotonin receptor agonist/antagonist |
|---|
| Comment |
Phenylpiperazine derivative
Active form of prodrug: Aripiprazole [DR: D01164]
Treatment of schizophrenia, bipolar disorder, and clinical depression
|
|---|
| 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
D10355 Aripiprazole cavoxil (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
DG00906 Aripiprazole
D10355 Aripiprazole cavoxil
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00906 Aripiprazole
D10355 Aripiprazole cavoxil
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00906 Aripiprazole
D10355 Aripiprazole cavoxil
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D10355 Aripiprazole cavoxil (USAN)
DRD3
D10355 Aripiprazole cavoxil (USAN)
Serotonin
HTR1A
D10355 Aripiprazole cavoxil (USAN)
HTR2A
D10355 Aripiprazole cavoxil (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10355
Prodrugs [br08324.html]
D10355
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 39
1 C8y C 19.8800 -27.4400
2 C8x C 19.8800 -26.0400
3 C8x C 18.6900 -25.3400
4 C8x C 18.6900 -28.1400
5 C8y C 17.4300 -27.4400
6 C8y C 17.4300 -26.0400
7 C1x C 15.0500 -25.9700
8 C5x C 15.0500 -27.3700
9 N1y N 16.2400 -28.1400
10 O5x O 13.7900 -28.0700
11 O2a O 21.0700 -28.1400
12 C1b C 22.3300 -27.4400
13 C1b C 23.5200 -28.1400
14 C1b C 24.7100 -27.4400
15 C1b C 25.9700 -28.1400
16 N1y N 27.2300 -27.4400
17 C1x C 28.3500 -28.1400
18 C1x C 29.6100 -27.4400
19 N1y N 29.6100 -26.0400
20 C1x C 28.3500 -25.3400
21 C1x C 27.2300 -26.0400
22 C8y C 30.8000 -25.3400
23 C8y C 31.9900 -26.0400
24 C8y C 33.2500 -25.3400
25 C8x C 33.2500 -23.9400
26 C8x C 31.9900 -23.2400
27 C8x C 30.8000 -23.9400
28 X Cl 31.9900 -27.4400
29 X Cl 34.4400 -26.0400
30 C1x C 16.2400 -25.3400
31 C1b C 16.2102 -29.5397
32 O7a O 17.4292 -30.2787
33 C7a C 17.3985 -31.7096
34 C1b C 18.6186 -32.4497
35 O6a O 16.1955 -32.3703
36 C1b C 19.8341 -31.7829
37 C1b C 21.0120 -32.4978
38 C1b C 22.2376 -31.8256
39 C1a C 23.4617 -32.5683
BOND 42
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
34 9 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 33 35 2
39 34 36 1
40 36 37 1
41 37 38 1
42 38 39 1
|
|---|
