KEGG   DRUG: Lumateperone tosylateHelp
Entry
D11170                      Drug                                   

Name
Lumateperone tosylate (USAN)
Formula
C24H28FN3O. C7H8O3S
Exact mass
565.2411
Mol weight
565.6986
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02937
Efficacy
Antipsychotic
Comment
Treatment of schizophrenia, bipolar disorder and behavioral and sleep disturbances
Target
HTR2A [HSA:3356] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D11170  Lumateperone tosylate (USAN)
   Serotonin
    HTR2A
     D11170  Lumateperone tosylate (USAN)
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D11170  Lumateperone tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 1187020-80-9
PubChem: 376219094
ChEMBL: CHEMBL3233142
KCF data Show

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

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