KEGG   DRUG: Iloperidone
Entry
D02666                      Drug                                   
Name
Iloperidone (USAN/INN);
Fanapt (TN)
Product
  Generic
Formula
C24H27FN2O4
Exact mass
426.1955
Mol weight
426.4806
Structure
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03005  Serotonin-dopamine antagonist (SDA)
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: N05AX14
Product: D02666<US>
Efficacy
Antipsychotic
Comment
Risperidone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
HTR2 [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX14 Iloperidone
      D02666  Iloperidone (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Iloperidone
    D02666  Iloperidone (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D02666  Iloperidone
  DG03005  Serotonin-dopamine antagonist (SDA)
   D02666  Iloperidone
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    D02666  Iloperidone
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D02666  Iloperidone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D02666  Iloperidone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02666  Iloperidone (USAN/INN) <US>
   Serotonin
    HTR2
     D02666  Iloperidone (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02666
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02666
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02666
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02666
Other DBs
CAS: 133454-47-4
PubChem: 17396835
ChEBI: 65173
LigandBox: D02666
NIKKAJI: J550.684K
KCF data

ATOM        31
            1   O2x O    20.8600  -29.1900
            2   C8y C    21.2800  -30.5200
            3   C8y C    22.6800  -30.5200
            4   C8y C    23.1000  -29.1900
            5   N5x N    21.9800  -28.3500
            6   C1x C    24.2900  -27.0900
            7   C1y C    24.2900  -28.4900
            8   C1x C    25.4800  -29.1900
            9   C1x C    26.7400  -28.4900
            10  N1y N    26.7400  -27.0900
            11  C1x C    25.4800  -26.3900
            12  C8x C    20.5800  -31.7324
            13  C8y C    21.2800  -32.9449
            14  C8x C    22.6800  -32.9449
            15  C8x C    23.3800  -31.7324
            16  X   F    20.5690  -34.1760
            17  C1b C    27.9466  -26.3800
            18  C1b C    29.1563  -27.0653
            19  C1b C    30.3766  -26.3470
            20  O2a O    31.5858  -27.0313
            21  C8y C    32.7852  -26.3249
            22  C8y C    33.9824  -27.0024
            23  C8x C    35.1888  -26.2920
            24  C8y C    35.1768  -24.8921
            25  C8x C    33.9796  -24.2146
            26  C8x C    32.7732  -24.9249
            27  C5a C    36.3949  -24.1743
            28  C1a C    37.6068  -24.8596
            29  O5a O    36.3821  -22.7501
            30  O2a O    33.9250  -28.4193
            31  C1a C    32.7046  -29.0596
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    7   4 1
            13    2  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    3  15 2
            18   13  16 1
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   27  28 1
            32   27  29 2
            33   22  30 1
            34   30  31 1

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