| Entry |
|
|---|
| Name |
Daridorexant (USAN/INN) |
|---|
| Formula |
C23H23ClN6O2
|
|---|
| Exact mass |
450.1571
|
|---|
| Mol weight |
450.9207
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG03225 Orexin receptor antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG03119): | D11887<US> |
|
|---|
| Efficacy |
Hypnotic, Orexin receptor antagonist |
|---|
| Comment |
Treatment of insomnia disorder in adult patients
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05C HYPNOTICS AND SEDATIVES
N05CJ Orexin receptor antagonists
N05CJ03 Daridorexant
D11886 Daridorexant (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03225 Orexin receptor antagonist
DG03119 Daridorexant
D11886 Daridorexant
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
D11886 Daridorexant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Orexin
HCRTR
D11886 Daridorexant (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11886
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03225 Orexin receptor antagonist
DG03119 Daridorexant
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C1x C 17.7100 -15.0500
2 C1x C 17.7100 -16.4500
3 C1z C 19.0400 -16.8700
4 N1y N 19.8800 -15.7500
5 C1x C 19.0400 -14.6300
6 C5a C 21.2800 -15.7500
7 O5a O 21.9800 -17.0100
8 C8y C 21.9800 -14.5600
9 C8y C 23.3800 -14.5600
10 C8x C 24.0800 -13.3700
11 C8x C 23.3800 -12.1100
12 C8x C 21.9800 -12.1100
13 C8y C 21.2800 -13.3700
14 O2a O 19.8800 -13.3700
15 N4y N 24.0800 -15.7500
16 N5x N 23.6600 -17.0800
17 C8x C 24.7800 -17.9200
18 C8x C 25.9000 -17.1500
19 N5x N 25.4800 -15.8200
20 C1a C 19.1800 -12.1800
21 C1a C 20.2300 -17.5700
22 C8y C 17.8500 -17.5700
23 N5x N 17.6651 -18.9648
24 C8y C 16.2568 -19.1997
25 C8y C 15.5954 -17.9878
26 N4x N 16.5387 -16.9676
27 C8x C 14.1958 -17.9542
28 C8x C 13.4669 -19.1494
29 C8y C 14.1283 -20.3613
30 C8y C 15.5279 -20.3949
31 X Cl 13.3829 -21.5834
32 C1a C 16.1847 -21.5981
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1
7 6 7 2
8 6 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 13 14 1
16 9 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 15 19 1
22 14 20 1
23 3 21 1 #Up
24 3 22 1 #Down
25 22 23 2
26 23 24 1
27 24 25 1
28 25 26 1
29 22 26 1
30 25 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 24 30 2
35 29 31 1
36 30 32 1
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