KEGG   DRUG: Loxapine hydrochlorideHelp
Entry
D08148                      Drug                                   

Name
Loxapine hydrochloride;
Desconex (TN)
Formula
C18H18ClN3O. HCl
Exact mass
363.0905
Mol weight
364.269
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: N05AH01
Chemical structure group: DG00897
Product (DG00897): D00794<US>
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist, Serotonin receptor antagonist
Target
DRD2 [HSA:1813] [KO:K04145]
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines and thiazepines
     N05AH01 Loxapine
      D08148  Loxapine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08148  Loxapine hydrochloride
   Serotonin
    HTR2A
     D08148  Loxapine hydrochloride
BRITE hierarchy
Other DBs
CAS: 54810-23-0
PubChem: 96024838
ChEMBL: CHEMBL1201060
LigandBox: D08148
NIKKAJI: J1.592.760G
KCF data Show

ATOM        24
            1   C2y C    24.0800  -17.2200
            2   C8y C    23.2400  -16.1000
            3   C8y C    23.5900  -14.7700
            4   O2x O    24.8500  -14.2100
            5   N2x N    25.4800  -17.2200
            6   C8y C    26.0400  -14.7700
            7   C8y C    26.3900  -16.1700
            8   C8x C    22.5400  -13.7900
            9   C8x C    21.2100  -14.2100
            10  C8y C    20.8600  -15.5400
            11  C8x C    21.9100  -16.5200
            12  C8x C    27.7200  -16.5900
            13  C8x C    28.7700  -15.6800
            14  C8x C    28.4200  -14.2800
            15  C8x C    27.0900  -13.8600
            16  X   Cl   19.5300  -15.9600
            17  N1y N    23.4500  -18.4800
            18  C1x C    22.0500  -18.4800
            19  C1x C    21.3500  -19.6700
            20  N1y N    22.0500  -20.9300
            21  C1x C    23.4500  -20.9300
            22  C1x C    24.1500  -19.6700
            23  C1a C    21.3500  -22.1200
            24  X   Cl   30.1700  -19.8800
BOND        26
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18   10  16 1
            19    1  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26   20  23 1

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