| | COMPOUND: C07397 | |
Entry |
|
Name |
Quetiapine;
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
|
Formula |
C21H25N3O2S
|
Exact mass |
383.1667
|
Mol weight |
383.5071
|
Structure |
|
Remark |
|
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
|
Other DBs |
|
KCF data |
ATOM 27
1 C8y C 21.6300 -17.7800
2 N2x N 22.4700 -16.6600
3 C2y C 23.8700 -16.6600
4 C8y C 24.7800 -17.7100
5 C8y C 21.9100 -19.1100
6 C8y C 24.5000 -19.1100
7 S2x S 23.2400 -19.7400
8 C8x C 25.5500 -20.0200
9 C8x C 26.8800 -19.6000
10 C8x C 27.1600 -18.2000
11 C8x C 26.1100 -17.2900
12 C8x C 20.2300 -17.3600
13 C8x C 19.2500 -18.3400
14 C8x C 19.6000 -19.7400
15 C8x C 20.9300 -20.0900
16 N1y N 24.5000 -15.4000
17 C1x C 25.8300 -15.2600
18 C1x C 26.4600 -14.0000
19 N1y N 25.6200 -12.8100
20 C1x C 24.2900 -12.9500
21 C1x C 23.6600 -14.2100
22 C1b C 26.2500 -11.5500
23 C1b C 27.5800 -11.5500
24 O2a O 28.4200 -12.7400
25 C1b C 29.7500 -12.7400
26 C1b C 30.5200 -13.7200
27 O1a O 32.0600 -13.7200
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
|
|
» Japanese version
|
|