Entry |
|
Name |
Carphenazine maleate (USAN); Proketazine (TN) |
Formula |
C24H31N3O2S. (C4H4O4)2
|
Exact mass |
657.2356
|
Mol weight |
657.7312
|
Structure |
|
Simcomp |
|
Class |
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
|
Efficacy |
Antipsychotic, Dopamine receptor antagonist |
Comment |
Phenothiazine derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
D02644 Carphenazine maleate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD1
D02644 Carphenazine maleate (USAN)
DRD2
D02644 Carphenazine maleate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 C8y C 16.9006 -19.8188
2 C8y C 16.9006 -18.4230
3 C8x C 15.7142 -17.6554
4 C8x C 14.5279 -18.4230
5 C8x C 14.5279 -19.8188
6 C8x C 15.7142 -20.5166
7 S2x S 18.0870 -20.5166
8 C8y C 19.2733 -19.8188
9 C8y C 19.2733 -18.4230
10 N1y N 18.0870 -17.6554
11 C8x C 20.5295 -20.5166
12 C8x C 21.7158 -19.8188
13 C8y C 21.7158 -18.4230
14 C8x C 20.5295 -17.6554
15 C1b C 18.0870 -16.2597
16 C1b C 19.2733 -15.7014
17 C1b C 19.2733 -14.2359
18 N1y N 20.4597 -13.6078
19 C1x C 21.6460 -14.2359
20 C1x C 22.8324 -13.5380
21 N1y N 22.8324 -12.1423
22 C1x C 21.6460 -11.4445
23 C1x C 20.4597 -12.2121
24 C1b C 24.0188 -11.4445
25 C5a C 22.9022 -17.6554
26 C1b C 24.0188 -18.4230
27 C1a C 25.2749 -17.6554
28 O5a O 22.9022 -16.2597
29 C1b C 25.2331 -12.1324
30 O1a O 26.4109 -11.4395
31 C6a C 32.9185 -15.2462
32 C2b C 32.2434 -14.0815
33 O6a O 32.3189 -16.4864
34 O6a O 34.2691 -15.2399
35 C2b C 30.6265 -14.0877
36 C6a C 29.9575 -15.2585
37 O6a O 28.6069 -15.2585
38 O6a O 30.6390 -16.4925
39 C6a C 32.9185 -15.2462
40 C2b C 32.2434 -14.0815
41 C2b C 30.6265 -14.0877
42 C6a C 29.9575 -15.2585
43 O6a O 28.6069 -15.2585
44 O6a O 30.6390 -16.4925
45 O6a O 32.3189 -16.4864
46 O6a O 34.2691 -15.2399
BOND 47
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 2 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 1
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 13 25 1
29 25 26 1
30 26 27 1
31 25 28 2
32 24 29 1
33 29 30 1
34 31 32 1
35 31 33 1
36 31 34 2
37 32 35 2
38 35 36 1
39 36 37 1
40 36 38 2
41 39 40 1
42 39 45 1
43 39 46 2
44 40 41 2
45 41 42 1
46 42 43 1
47 42 44 2
BRACKET 1 27.4400 -17.0800 27.4400 -13.3700
1 34.8600 -13.3700 34.8600 -17.0800
1 2
ORIGINAL 1 31 32 35 36 37 38 33 34
REPEAT 1 39 40 41 42 43 44 45 46
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