| Entry |
|
|---|
| Name |
Suvorexant (JAN/USAN);
MK-4305;
Belsomra (TN) |
|---|
| Product |
|
|---|
| Formula |
C23H23ClN6O2
|
|---|
| Exact mass |
450.1571
|
|---|
| Mol weight |
450.9207
|
|---|
| Structure |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
Transporter inhibitor
DG01622 ABCB1 inhibitor
|
|---|
| Remark |
| Therapeutic category: | 1190 |
|
|---|
| Efficacy |
Hypnotic, Orexin receptor antagonist |
|---|
| Disease |
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
|
|---|
| Interaction |
Transporter inhibition: ABCB1 [HSA: 5243]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05C HYPNOTICS AND SEDATIVES
N05CM Other hypnotics and sedatives
N05CM19 Suvorexant
D10082 Suvorexant (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
Sleep Disorder Agents
Sleep Promoting Agents
Suvorexant
D10082 Suvorexant (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
1 Agents affecting nervous system and sensory organs
11 Agents affecting central nervous system
119 Miscellaneous
1190 Miscellaneous
D10082 Suvorexant (JAN/USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Orexin
HCRTR
D10082 Suvorexant (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10082
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10082
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10082
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10082
Drug transporters
D10082
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 11.2000 -14.5600
2 C8y C 11.2000 -15.9600
3 C8x C 12.3900 -16.6600
4 C8y C 13.6500 -15.9600
5 C8y C 13.6500 -14.5600
6 C8x C 12.3900 -13.8600
7 X Cl 10.0100 -16.6600
8 N5x N 14.9800 -16.3800
9 C8y C 15.7500 -15.2600
10 O2x O 14.9800 -14.1400
11 N1y N 17.1500 -15.2600
12 C1x C 17.1500 -13.8600
13 C1x C 18.2700 -12.9500
14 N1y N 19.6000 -13.3000
15 C1y C 20.2300 -14.5600
16 C1x C 19.6000 -15.8200
17 C1x C 18.2700 -16.1000
18 C1a C 21.6300 -14.5600
19 C5a C 20.7900 -12.6000
20 O5a O 21.9800 -13.3000
21 C8y C 20.7900 -11.2000
22 C8x C 21.9800 -10.5000
23 C8y C 21.9800 -9.1000
24 C8x C 20.7900 -8.4000
25 C8x C 19.6000 -9.1000
26 C8y C 19.6000 -10.5000
27 C1a C 23.1700 -8.4000
28 N4y N 18.3147 -11.1251
29 N5x N 17.1851 -10.3387
30 C8x C 16.0920 -11.1727
31 C8x C 16.5474 -12.4700
32 N5x N 17.9219 -12.4378
BOND 36
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 2 7 1
8 4 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 14 15 1
14 12 11 1
15 15 16 1
16 13 14 1
17 11 17 1
18 12 13 1
19 16 17 1
20 15 18 1 #Down
21 19 20 2
22 19 14 1
23 19 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 23 27 1
31 26 28 1
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 28 32 1
|
|---|
