KEGG   DRUG: Lecozotan hydrochlorideHelp
Entry
D04683                      Drug                                   

Name
Lecozotan hydrochloride (USAN);
Lecozotan SR;
SRA 333
Formula
C28H29N5O3. HCl
Exact mass
519.2037
Mol weight
520.0225
Structure
Mol fileKCF fileDB search
Efficacy
Dementia therapeutic agent, Serotonin 5-HT1A receptor antagonist
Comment
Treatment of cognitive deficits associated with Alzheimer's disease
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D04683  Lecozotan hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 433282-68-9
PubChem: 47206519
ChEMBL: CHEMBL2107349
LigandBox: D04683
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8x C    34.9551  -26.0686
            2   C8y C    34.9551  -27.4706
            3   C8x C    36.1693  -28.1716
            4   C8x C    37.3835  -27.4706
            5   C8y C    37.3835  -26.0686
            6   C8x C    36.1693  -25.3676
            7   C5a C    38.6164  -25.3566
            8   C3b C    33.7410  -28.1716
            9   N1c N    39.8233  -26.0532
            10  O5a O    38.6161  -23.9657
            11  C1b C    41.0062  -25.3676
            12  C1c C    42.2204  -26.0686
            13  N1y N    43.4346  -25.3676
            14  C1x C    44.6508  -26.0698
            15  C1x C    45.8650  -25.3688
            16  N1y N    45.8650  -23.9668
            17  C1x C    44.6487  -23.2646
            18  C1x C    43.4346  -23.9656
            19  C8y C    47.0989  -23.2542
            20  C8y C    48.3053  -23.9505
            21  C8y C    49.5195  -23.2495
            22  C8x C    49.5194  -21.8474
            23  C8x C    48.3130  -21.1510
            24  C8x C    47.0989  -21.8521
            25  O2x O    48.3054  -25.3526
            26  C1x C    49.5196  -26.0534
            27  C1x C    50.7336  -25.3524
            28  O2x O    50.7336  -23.9503
            29  N3a N    32.5274  -28.8722
            30  C1a C    42.2205  -27.4607
            31  C8y C    39.8244  -27.4605
            32  C8x C    38.6323  -28.1504
            33  C8x C    38.6336  -29.5518
            34  C8x C    39.8480  -30.2512
            35  C8x C    41.0401  -29.5613
            36  N5x N    41.0388  -28.1599
            37  X   Cl   48.0200  -28.6300
BOND        40
            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     5   7 1
            8     2   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   16  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   20  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   21  28 1
            32    8  29 3
            33   12  30 1 #Down
            34    9  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   31  36 1

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