| Entry |
|
|---|
| Name |
Zuclopenthixol dihydrochloride;
Clopixol (TN) |
|---|
| Formula |
C22H25ClN2OS. 2HCl
|
|---|
| Exact mass |
472.091
|
|---|
| Mol weight |
473.8866
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsychotic, Neuroleptic, Dopamine receptor antagonist |
|---|
| Comment |
Thioxanthene derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05A ANTIPSYCHOTICS
N05AF Thioxanthene derivatives
N05AF05 Zuclopenthixol
D08693 Zuclopenthixol dihydrochloride
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG00896 Zuclopenthixol
D08693 Zuclopenthixol dihydrochloride
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00896 Zuclopenthixol
D08693 Zuclopenthixol dihydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD1
D08693 Zuclopenthixol dihydrochloride
DRD2
D08693 Zuclopenthixol dihydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08693
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG00896 Zuclopenthixol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00896 Zuclopenthixol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8x C 17.5000 -20.3700
2 C8x C 17.5000 -21.7700
3 C8x C 18.7600 -22.4700
4 C8y C 19.9500 -21.7700
5 C8y C 19.9500 -20.3700
6 C8x C 18.7600 -19.6700
7 S2x S 21.1400 -22.4700
8 C8y C 22.4000 -21.7700
9 C8y C 22.4000 -20.3700
10 C8y C 21.1400 -19.6700
11 C8x C 23.5900 -22.4700
12 C8x C 24.7800 -21.7700
13 C8y C 24.7800 -20.3700
14 C8x C 23.5900 -19.6700
15 C2b C 21.1400 -18.2700
16 C1b C 22.4000 -17.5700
17 C1b C 22.4000 -16.1700
18 N1y N 23.5900 -15.4700
19 C1x C 24.7800 -16.1700
20 C1x C 25.9700 -15.4700
21 N1y N 25.9700 -14.0700
22 C1x C 24.7800 -13.3700
23 C1x C 23.5900 -14.0700
24 C1b C 27.2300 -13.3700
25 C1b C 28.4200 -14.0700
26 O1a O 29.6100 -13.3700
27 X Cl 26.0400 -19.6700
28 X Cl 29.4000 -18.4100
29 X Cl 29.4700 -20.6500
BOND 30
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 18 23 1
27 21 24 1
28 24 25 1
29 25 26 1
30 13 27 1
|
|---|
