| Entry |
|
|---|
| Name |
Promethazine methylenedisalicylate (JAN);
Pyrethia (TN) |
|---|
| Formula |
(C17H20N2S)2. C15H12O6
|
|---|
| Exact mass |
856.3328
|
|---|
| Mol weight |
857.09
|
|---|
| Structure |
|
|---|
| Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG00385): | D00480<JP/US> D03290<JP> D08768<JP> |
| Product (mixture): | D04046<JP> |
|
|---|
| Efficacy |
Antiallergic, Antiparkinsonian, H1 receptor antagonist |
|---|
| Comment |
Phenothiazine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07029 | Antipsychotics - phenothiazines |
| map07212 | Histamine H1 receptor antagonists |
| map07213 | Dopamine receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AA Antihistamines for topical use
D04AA10 Promethazine
D03290 Promethazine methylenedisalicylate (JAN) <JP>
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AD Phenothiazine derivatives
R06AD02 Promethazine
D03290 Promethazine methylenedisalicylate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
1 Agents affecting nervous system and sensory organs
11 Agents affecting central nervous system
116 Antiparkinsonian agents
1169 Others
D03290 Promethazine methylenedisalicylate (JAN)
4 Agents affecting cellular function
44 Allergic agents
441 Antihistamines
4413 Phenothiazines
D03290 Promethazine methylenedisalicylate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Designated second-class OTC drugs
Inorganic and organic chemicals
Promethazine
D03290 Promethazine methylenedisalicylate (JAN)
Second-class OTC drugs
Inorganic and organic chemicals
Promethazine
D03290 Promethazine methylenedisalicylate (JAN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00385 Promethazine
D03290 Promethazine methylenedisalicylate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00385 Promethazine
D03290 Promethazine methylenedisalicylate
Drug classes [BR:br08332]
Anti-allergic agent
DG01482 Histamine receptor H1 antagonist
D03290 Promethazine methylenedisalicylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D03290 Promethazine methylenedisalicylate (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03290
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00385 Promethazine
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00385 Promethazine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 61
1 N1y N 14.0591 -13.7145
2 C8y C 15.2989 -14.4130
3 C8y C 12.8659 -14.4130
4 C1b C 14.0591 -12.3002
5 C8y C 15.2989 -15.8216
6 C8x C 16.4921 -13.7145
7 C8y C 12.8659 -15.8216
8 C8x C 11.6669 -13.7145
9 C1c C 15.2640 -11.6133
10 S2x S 14.0591 -16.5141
11 C8x C 16.4921 -16.5141
12 C8x C 17.6970 -14.4130
13 C8x C 11.6669 -16.5141
14 C8x C 10.4271 -14.4130
15 N1c N 15.2640 -10.2920
16 C1a C 16.4572 -12.3002
17 C8x C 17.6970 -15.8216
18 C8x C 10.4271 -15.8216
19 C1a C 13.9253 -9.5179
20 C1a C 16.3990 -9.5528
21 C8y C 22.5400 -12.9500
22 C8y C 22.5400 -14.3500
23 C8x C 23.7524 -15.0500
24 C8x C 24.9649 -14.3500
25 C8y C 24.9649 -12.9500
26 C8x C 23.7524 -12.2500
27 C8x C 27.3897 -14.3500
28 C8y C 27.3897 -12.9500
29 C1b C 26.1773 -12.2500
30 C8x C 28.6022 -15.0500
31 C8y C 29.8146 -14.3500
32 C8y C 29.8146 -12.9500
33 C8x C 28.6022 -12.2500
34 C6a C 21.3276 -12.2500
35 O6a O 20.1321 -12.9404
36 O6a O 21.3275 -10.8502
37 O1a O 21.3276 -15.0500
38 C6a C 31.0311 -12.2477
39 O6a O 32.2286 -12.9392
40 O6a O 31.0311 -10.8502
41 O1a O 31.0311 -15.0523
42 N1y N 14.0591 -13.7145
43 C8y C 15.2989 -14.4130
44 C8y C 15.2989 -15.8216
45 S2x S 14.0591 -16.5141
46 C8y C 12.8659 -15.8216
47 C8y C 12.8659 -14.4130
48 C8x C 11.6669 -13.7145
49 C8x C 10.4271 -14.4130
50 C8x C 10.4271 -15.8216
51 C8x C 11.6669 -16.5141
52 C8x C 16.4921 -16.5141
53 C8x C 17.6970 -15.8216
54 C8x C 17.6970 -14.4130
55 C8x C 16.4921 -13.7145
56 C1b C 14.0591 -12.3002
57 C1c C 15.2640 -11.6133
58 N1c N 15.2640 -10.2920
59 C1a C 13.9253 -9.5179
60 C1a C 16.3990 -9.5528
61 C1a C 16.4572 -12.3002
BOND 66
1 21 22 2
2 22 23 1
3 23 24 2
4 24 25 1
5 25 26 2
6 21 26 1
7 27 28 1
8 28 29 1
9 25 29 1
10 27 30 2
11 30 31 1
12 31 32 2
13 32 33 1
14 28 33 2
15 21 34 1
16 34 35 1
17 34 36 2
18 22 37 1
19 32 38 1
20 38 39 1
21 38 40 2
22 31 41 1
23 1 2 1
24 1 3 1
25 1 4 1
26 2 5 2
27 2 6 1
28 3 7 2
29 3 8 1
30 4 9 1
31 5 10 1
32 5 11 1
33 6 12 2
34 7 13 1
35 8 14 2
36 9 15 1
37 9 16 1
38 11 17 2
39 13 18 2
40 15 19 1
41 15 20 1
42 7 10 1
43 12 17 1
44 14 18 1
45 42 43 1
46 42 47 1
47 42 56 1
48 43 44 2
49 43 55 1
50 47 46 2
51 47 48 1
52 56 57 1
53 44 45 1
54 44 52 1
55 55 54 2
56 46 51 1
57 48 49 2
58 57 58 1
59 57 61 1
60 52 53 2
61 51 50 2
62 58 59 1
63 58 60 1
64 46 45 1
65 54 53 1
66 49 50 1
BRACKET 1 10.1500 -17.1500 10.1500 -8.6800
1 18.3400 -8.6800 18.3400 -17.1500
1 2
ORIGINAL 1 1 2 5 10 7 3 8 14 18 13 11 17 12 6 4 9
1 15 19 20 16
REPEAT 1 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57
1 58 59 60 61
|
|---|
