Entry |
|
Name |
Almorexant (INN) |
Formula |
C29H31F3N2O3
|
Exact mass |
512.2287
|
Mol weight |
512.56
|
Structure |

|
Class |
Neuropsychiatric agent
DG03225 Orexin receptor antagonist
|
Efficacy |
Hypnotic, Orexin receptor antagonist |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03225 Orexin receptor antagonist
D09964 Almorexant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Orexin
HCRTR
D09964 Almorexant (INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 37
1 C8y C 20.0200 -25.7600
2 C8y C 20.0200 -27.1600
3 C1x C 21.2324 -27.8600
4 C1x C 22.4449 -27.1600
5 N1y N 22.4449 -25.7600
6 C1y C 21.2324 -25.0600
7 C8x C 18.8076 -25.0600
8 C8y C 17.5951 -25.7600
9 C8y C 17.5951 -27.1600
10 C8x C 18.8076 -27.8600
11 O2a O 16.3640 -25.0490
12 C1a C 15.1588 -25.7447
13 O2a O 16.3640 -27.8710
14 C1a C 15.1588 -27.1753
15 C1b C 21.2324 -23.6602
16 C1c C 23.6760 -25.0490
17 C5a C 24.8812 -25.7447
18 N1b N 26.0635 -25.0619
19 O5a O 24.8816 -27.1596
20 C1a C 27.2575 -25.7512
21 C8y C 23.6757 -23.6601
22 C8x C 24.8762 -22.9666
23 C8x C 24.8759 -21.5666
24 C8x C 23.6633 -20.8669
25 C8x C 22.4628 -21.5604
26 C8x C 22.4631 -22.9604
27 C1b C 20.0032 -22.9503
28 C8y C 20.0034 -21.5601
29 C8x C 21.2284 -20.8530
30 C8x C 21.2285 -19.4530
31 C8y C 20.0161 -18.7529
32 C8x C 18.7912 -19.4600
33 C8x C 18.7910 -20.8600
34 C1d C 20.0163 -17.3600
35 X F 20.0163 -15.9600
36 X F 21.4163 -17.3600
37 X F 18.6163 -17.3600
BOND 40
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 1
13 11 12 1
14 9 13 1
15 13 14 1
16 6 15 1 #Down
17 5 16 1
18 16 17 1
19 17 18 1
20 17 19 2
21 18 20 1
22 16 21 1
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 15 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
37 31 34 1
38 34 35 1
39 34 36 1
40 34 37 1
|