KEGG   DRUG: D04820Help
Entry
D04820                      Drug                                   
Name
Lurasidone hydrochloride (JAN/USAN);
SM 13496;
Latuda (TN)
Product
Formula
C28H36N4O2S. HCl
Exact mass
528.2326
Mol weight
529.137
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of schizophrenia [high-affinity agonist of serotonin 5-HT1A, 5-HT2, and 5-HT7 receptors as well as dopamine D2 receptors]
Remark
ATC code: 
Comment
atypical antipsychotic
Target
5-HT1A-receptor agonist [HSA:3350] [KO:K04153];
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157];
5-HT7-receptor agonist [HSA:3363] [KO:K04163];
dopamine D2-receptor agonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse  
 
Metabolism
Enzyme: CYP3A [KO:K07424]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AE Indole derivatives
     N05AE05 Lurasidone
      D04820  Lurasidone hydrochloride (JAN/USAN)
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Lurasidone
    D04820  Lurasidone hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor [HSA:1813] [KO:K04145]
     Lurasidone
      D04820  Lurasidone hydrochloride (JAN/USAN)
   Serotonin
    5-HT1A-receptor [HSA:3350] [KO:K04153]
     Lurasidone
      D04820  Lurasidone hydrochloride (JAN/USAN)
    5-HT2-receptor [HSA:3356 3357 3358] [KO:K04157]
     Lurasidone
      D04820  Lurasidone hydrochloride (JAN/USAN)
    5-HT7-receptor [HSA:3363] [KO:K04163]
     Lurasidone
      D04820  Lurasidone hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
367514-88-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        36
            1   C1y C    32.7876  -16.5933
            2   C1x C    33.4857  -15.3366
            3   C1x C    32.7178  -14.1498
            4   C1x C    31.3215  -14.1496
            5   C1x C    30.6931  -15.4064
            6   C1y C    31.3913  -16.5933
            7   C1x C    39.5595  -17.0122
            8   C1x C    39.5595  -18.4085
            9   C1y C    38.3029  -19.1066
            10  C1y C    37.0462  -18.4085
            11  C1y C    37.0462  -17.0122
            12  C1y C    38.2331  -16.3140
            13  C5x C    35.7896  -18.8273
            14  N1y N    34.8820  -17.7801
            15  C5x C    35.7198  -16.5933
            16  O5x O    35.3707  -15.2668
            17  O5x O    35.3707  -20.1538
            18  C1x C    37.8840  -17.6405
            19  C1b C    33.5555  -17.7801
            20  C1b C    30.7630  -17.7801
            21  N1y N    29.3667  -17.7799
            22  C1x C    28.6685  -16.5931
            23  C1x C    27.2722  -16.5931
            24  N1y N    26.5741  -17.8498
            25  C1x C    27.3421  -19.0366
            26  C1x C    28.7383  -19.0368
            27  C8y C    25.1778  -17.8498
            28  C8y C    24.3401  -16.7327
            29  C8y C    23.0136  -17.2214
            30  S2x S    23.0136  -18.6177
            31  N5x N    24.4099  -19.0366
            32  C8x C    24.6193  -15.3364
            33  C8x C    23.5721  -14.4289
            34  C8x C    22.2456  -14.9176
            35  C8x C    21.9664  -16.3138
            36  X   Cl   42.2125  -17.9198
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   11  15 1
            16   15  16 2
            17   13  17 2
            18   12  18 1 #Up
            19    9  18 1 #Up
            20   10  13 1
            21   14  19 1
            22    1  19 1 #Up
            23    6  20 1 #Down
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   21  26 1
            31   24  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   27  31 2
            37   28  32 2
            38   32  33 1
            39   33  34 2
            40   34  35 1
            41   29  35 2

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