| Entry |
|
|---|
| Name |
Rimegepant (USAN/INN) |
|---|
| Formula |
C28H28F2N6O3
|
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| Exact mass |
534.2191
|
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| Mol weight |
534.56
|
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| Structure |
|
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| Class |
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
| Product (DG01845): | D10663<JP/US> |
|
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| Efficacy |
Antimigraine, Calcitonin receptor-like receptor antagonist |
|---|
| Comment |
Treatment of migraine
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C9 [HSA: 1559]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CD Calcitonin gene-related peptide (CGRP) antagonists
N02CD06 Rimegepant
D10662 Rimegepant (USAN/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01845 Rimegepant
D10662 Rimegepant
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01845 Rimegepant
D10662 Rimegepant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Secretin receptor family
Calcitonin
CALCRL
D10662 Rimegepant (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10662
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01845 Rimegepant
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01845 Rimegepant
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 39
1 N1y N 22.5400 -28.9100
2 C1x C 22.5400 -30.3100
3 C1x C 23.7300 -31.0100
4 C1y C 24.9200 -30.3100
5 C1x C 24.9200 -28.9100
6 C1x C 23.7300 -28.2800
7 N4y N 26.1100 -31.0100
8 C8y C 26.5300 -32.3400
9 C8y C 27.9300 -32.3400
10 N4x N 28.3500 -31.0100
11 C8y C 27.2300 -30.1700
12 C8x C 25.8300 -33.6000
13 C8x C 26.5300 -34.7900
14 C8x C 27.9300 -34.7900
15 N5x N 28.6300 -33.6000
16 O5x O 27.2300 -28.8400
17 C7a C 21.2800 -28.2800
18 O7a O 20.0900 -28.9800
19 O6a O 21.2800 -26.8800
20 C1y C 18.9000 -28.2800
21 C8x C 16.5900 -31.8500
22 C8x C 18.0600 -31.8500
23 N5x N 18.7600 -30.6600
24 C8y C 18.0600 -29.4000
25 C8y C 16.5900 -29.4000
26 C8x C 15.8900 -30.6600
27 C1y C 15.6800 -28.3500
28 C1y C 16.0300 -27.0200
29 C1x C 17.3600 -26.3200
30 C1x C 18.6200 -26.9500
31 C8y C 15.0500 -25.9700
32 C8y C 13.7200 -26.3200
33 X F 13.3700 -27.7200
34 C8x C 15.4000 -24.5700
35 C8x C 14.3500 -23.5900
36 C8x C 13.0200 -24.0100
37 C8y C 12.6700 -25.3400
38 X F 11.3400 -25.6900
39 N1a N 14.3500 -28.7000
BOND 44
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 7 1
12 8 7 1
13 8 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 9 15 1
18 11 16 2
19 1 17 1
20 17 18 1
21 17 19 2
22 20 18 1 #Up
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 28 29 1
30 29 30 1
31 27 28 1
32 24 20 1
33 25 27 1
34 30 20 1
35 31 32 2
36 32 33 1
37 31 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 32 37 1
42 37 38 1
43 28 31 1 #Down
44 27 39 1 #Up
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