KEGG   DRUG: LemborexantHelp
Entry
D11022                      Drug                                   

Name
Lemborexant (JAN/USAN/INN)
Formula
C22H20F2N4O2
Exact mass
410.1554
Mol weight
410.4166
Structure
Mol fileKCF fileDB search
Efficacy
Hypnotic, Orexin receptor antagonist
Comment
Treatment of insomnia
Target
HCRTR [HSA:3061 3062] [KO:K04238 K04239]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Orexin
    HCRTR
     D11022  Lemborexant (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1369764-02-2
PubChem: 348350494
ChEMBL: CHEMBL3545367
KCF data Show

ATOM        30
            1   C1z C    17.9200  -15.7500
            2   C1y C    19.3200  -15.7500
            3   C1x C    18.6200  -14.5600
            4   C8x C    14.2800  -13.6500
            5   C8y C    14.2800  -15.0500
            6   C8x C    15.4700  -15.7500
            7   C8y C    16.7300  -15.0500
            8   C8x C    16.7300  -13.6500
            9   C8x C    15.4700  -12.9500
            10  C1b C    16.7300  -16.4500
            11  O2a O    16.7300  -17.8500
            12  C8y C    15.5400  -18.5500
            13  C8x C    14.3500  -17.8500
            14  N5x N    13.0900  -18.5500
            15  C8y C    13.0900  -19.9500
            16  N5x N    14.2800  -20.6500
            17  C8y C    15.5400  -19.9500
            18  C1a C    16.7300  -20.6500
            19  C1a C    11.9000  -20.6500
            20  X   F    13.0900  -15.7500
            21  C5a C    20.5100  -16.4500
            22  N1b N    20.5100  -17.8500
            23  O5a O    21.7000  -15.7500
            24  C8y C    21.7224  -18.5500
            25  N5x N    21.7224  -19.9498
            26  C8x C    22.9349  -20.6498
            27  C8y C    24.1473  -19.9498
            28  C8x C    24.1473  -18.5500
            29  C8x C    22.9349  -17.8500
            30  X   F    25.3618  -20.6510
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   1 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    1   7 1 #Down
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   17  18 1
            21   15  19 1
            22    5  20 1
            23    2  21 1 #Up
            24   21  22 1
            25   21  23 2
            26   22  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   27  30 1

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