Lumateperone tosylate


Entry
D11170                      Drug                                   
Name
Lumateperone tosylate (USAN);
Caplyta (TN)
Product
CAPLYTA (Intra-Cellular Therapies), CAPLYTA (REMEDYREPACK)
Formula
C24H28FN3O. C7H8O3S
Exact mass
565.2411
Mol weight
565.6986
Structure
Remark
ATC code: N05AD10
Chemical structure group: DG02937
Product (DG02937): D11170<US>
Efficacy
Antipsychotic
  Disease
Schizophrenia [DS:H01649]
Bipolar I or II disorder [DS:H01653]
Comment
Treatment of schizophrenia, bipolar disorder and behavioral and sleep disturbances
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD10 Lumateperone
      D11170  Lumateperone tosylate (USAN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D11170  Lumateperone tosylate (USAN) <US>
   Serotonin
    HTR2A
     D11170  Lumateperone tosylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11170
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11170
Other DBs
CAS: 1187020-80-9
PubChem: 376219094
KCF data

ATOM        40
            1   C8x C     3.9844  -16.7214
            2   C8y C     3.9844  -18.1207
            3   C8x C     5.1739  -18.8204
            4   C8x C     6.4332  -18.1207
            5   C8y C     6.4332  -16.7214
            6   C8x C     5.1739  -16.0218
            7   C5a C     7.6226  -16.0218
            8   C1b C     8.8820  -16.7214
            9   C1b C    10.0714  -16.0218
            10  C1b C    11.2608  -16.7214
            11  N1y N    12.4502  -16.0218
            12  C1x C    13.7096  -16.7214
            13  C1y C    14.8990  -16.0218
            14  C1y C    14.8990  -14.6225
            15  C1x C    13.7096  -13.9228
            16  C1x C    12.4502  -14.6225
            17  X   F     2.7950  -18.8204
            18  O5a O     7.6226  -14.6225
            19  C8y C    16.2283  -16.4416
            20  C8y C    16.9979  -15.3221
            21  N1y N    16.2283  -14.2027
            22  C8y C    18.3972  -15.3221
            23  N1y N    19.0269  -14.1327
            24  C1x C    18.3272  -12.8734
            25  C1x C    16.9979  -12.8734
            26  C8x C    16.9280  -17.7709
            27  C8x C    18.3272  -17.7709
            28  C8x C    19.0269  -16.5815
            29  C1a C    20.3562  -13.9928
            30  C8x C    23.8700  -16.0300
            31  C8x C    23.8700  -17.4300
            32  C8y C    25.0824  -18.1300
            33  C8x C    26.2949  -17.4300
            34  C8x C    26.2949  -16.0300
            35  C8y C    25.0824  -15.3300
            36  C1a C    25.0824  -19.5298
            37  S4a S    25.0824  -13.9302
            38  O1d O    23.6824  -13.9302
            39  O1d O    26.4824  -13.9302
            40  O1d O    25.0824  -12.5302
BOND        44
            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     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18    2  17 1
            19    7  18 2
            20   13  19 1
            21   19  20 1
            22   20  21 1
            23   14  21 1
            24   20  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   21  25 1
            29   19  26 2
            30   26  27 1
            31   27  28 2
            32   28  22 1
            33   23  29 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   30  35 1
            40   32  36 1
            41   35  37 1
            42   37  38 2
            43   37  39 2
            44   37  40 1