| Entry |
|
|---|
| Name |
Rupatadine (INN) |
|---|
| Formula |
C26H26ClN3
|
|---|
| Exact mass |
415.1815
|
|---|
| Mol weight |
415.9577
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01118): | D08497<JP> |
|
|---|
| Efficacy |
Antiallergic, H1 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AX Other antihistamines for systemic use
R06AX28 Rupatadine
D07407 Rupatadine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01118 Rupatadine
D07407 Rupatadine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01118 Rupatadine
D07407 Rupatadine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07407 Rupatadine (INN)
Platelet activating factor
PTAFR
D07407 Rupatadine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07407
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01118 Rupatadine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01118 Rupatadine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 23.8358 -19.0372
2 C2y C 25.0840 -18.4123
3 C8y C 26.3587 -18.9926
4 C8y C 26.6956 -20.3413
5 C8y C 23.5518 -20.4173
6 C1x C 25.8515 -21.4614
7 C1x C 24.4504 -21.4913
8 C8x C 22.7893 -18.1072
9 C8x C 21.4607 -18.5485
10 C8y C 21.1767 -19.9286
11 C8x C 22.2232 -20.8586
12 C8x C 28.0416 -20.7266
13 C8x C 29.0482 -19.7536
14 C8x C 28.7113 -18.4048
15 N5x N 27.3653 -18.0196
16 X Cl 19.8721 -20.3624
17 C2y C 25.0581 -17.0100
18 C1x C 26.2588 -16.2869
19 C1x C 26.2329 -14.8871
20 N1y N 25.0078 -14.2096
21 C1x C 23.8071 -14.9327
22 C1x C 23.8329 -16.3325
23 C1b C 24.9819 -12.8100
24 C8y C 26.1872 -12.0842
25 C8x C 27.4176 -12.7645
26 C8y C 28.6169 -12.0421
27 C8x C 28.6609 -10.6423
28 N5x N 27.3604 -9.9620
29 C8x C 26.1612 -10.6844
30 C1a C 29.8336 -12.7551
BOND 34
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 5 11 2
13 4 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 3 15 2
18 10 16 1
19 2 17 2
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 17 22 1
26 20 23 1
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 26 30 1
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