Entry |
|
Name |
|
Formula |
C18H15BrF2N4O2
|
Exact mass |
436.0346
|
Mol weight |
437.2381
|
Structure |

     |
Efficacy |
Hypnotic |
Comment |
Treatment of insomnia
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
5-HT2A-receptor
Nelotanserin
D09645 Nelotanserin (USAN/INN)
 |
Other DBs |
|
KCF data |
 ATOM 27
1 C8y C 15.8200 -24.5000
2 C8y C 15.8200 -23.1000
3 C8x C 14.6076 -22.4000
4 C8x C 13.3951 -23.1000
5 C8y C 13.3951 -24.5000
6 C8x C 14.6076 -25.2000
7 N1b N 17.0324 -22.4000
8 C5a C 18.2279 -23.0904
9 N1b N 19.4153 -22.4049
10 O5a O 18.2280 -24.4997
11 C8y C 20.6065 -23.0929
12 C8x C 20.6065 -24.4998
13 C8x C 21.8189 -25.1998
14 C8y C 23.0313 -24.4998
15 C8y C 23.0314 -23.0930
16 C8x C 21.8190 -22.3929
17 C8y C 24.2398 -22.3954
18 C8y C 25.5038 -22.9584
19 C8x C 26.4299 -21.9302
20 N5x N 25.7382 -20.7318
21 N4y N 24.3846 -21.0193
22 C1a C 23.3212 -20.0614
23 X Br 25.7939 -24.3244
24 O2a O 24.2428 -25.1994
25 C1a C 24.2428 -26.5994
26 X F 17.0324 -25.2000
27 X F 12.1640 -25.2110
BOND 29
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 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 2
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 17 21 1
24 21 22 1
25 18 23 1
26 14 24 1
27 24 25 1
28 1 26 1
29 5 27 1
|