| Entry |
|
|---|
| Name |
Quetiapine (INN);
Norsic (TN) |
|---|
| Formula |
C21H25N3O2S
|
|---|
| Exact mass |
383.1667
|
|---|
| Mol weight |
383.5071
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00899): | D00458<JP/US> |
|
|---|
| Efficacy |
Antipsychotic, Neuroleptic |
|---|
| Comment |
Multi-acting-receptor-targeting-antipsychotics (MARTA)
|
|---|
| 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]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05A ANTIPSYCHOTICS
N05AH Diazepines, oxazepines, thiazepines and oxepines
N05AH04 Quetiapine
D08456 Quetiapine (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00899 Quetiapine
D08456 Quetiapine
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
DG00899 Quetiapine
D08456 Quetiapine
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00899 Quetiapine
D08456 Quetiapine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00899 Quetiapine
D08456 Quetiapine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D08456 Quetiapine (INN)
Serotonin
HTR2A
D08456 Quetiapine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08456
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG01474 Dopamine D2-receptor antagonist
DG00899 Quetiapine
DG03200 Antipsychotic agent
DG03064 Atypical antipsychotic
DG00899 Quetiapine
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00899 Quetiapine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00899 Quetiapine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8y C 20.0900 -19.3900
2 N2x N 19.2500 -20.5100
3 C2y C 17.8500 -20.5100
4 C8y C 16.9400 -19.4600
5 C8y C 19.8100 -18.0600
6 C8y C 17.2200 -18.0600
7 S2x S 18.4800 -17.4300
8 C8x C 16.1700 -17.1500
9 C8x C 14.8400 -17.5700
10 C8x C 14.5600 -18.9700
11 C8x C 15.6100 -19.8800
12 C8x C 21.4900 -19.8100
13 C8x C 22.4700 -18.8300
14 C8x C 22.1200 -17.4300
15 C8x C 20.7900 -17.0800
16 N1y N 17.2200 -21.7700
17 C1x C 15.8900 -21.9100
18 C1x C 15.2600 -23.1700
19 N1y N 16.1000 -24.3600
20 C1x C 17.4300 -24.2200
21 C1x C 18.0600 -22.9600
22 C1b C 15.5219 -25.6351
23 C1b C 14.1481 -25.6299
24 O2a O 13.4464 -24.4039
25 C1b C 12.0404 -24.3985
26 C1b C 11.3584 -23.2071
27 O1a O 9.9405 -23.2714
BOND 30
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 6 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 4 11 2
13 1 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 5 15 2
18 3 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 19 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
|
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