KEGG   DRUG: MelperoneHelp
Entry
D07309                      Drug                                   

Name
Melperone (INN);
Bunil (TN)
Formula
C16H22FNO
Exact mass
263.1685
Mol weight
263.3504
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01940  Butyrophenone derivative
Remark
ATC code: N05AD03
Chemical structure group: DG00887
Efficacy
Neuroleptic
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD03 Melperone
      D07309  Melperone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D07309  Melperone (INN)
BRITE hierarchy
Other DBs
CAS: 3575-80-2
PubChem: 51091646
ChEMBL: CHEMBL1531134
LigandBox: D07309
NIKKAJI: J22.266F
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    15.0500  -19.6000
            2   C8y C    15.0500  -21.0000
            3   C8x C    16.2624  -21.7000
            4   C8x C    17.4749  -21.0000
            5   C8y C    17.4749  -19.6000
            6   C8x C    16.2624  -18.9000
            7   C5a C    18.7124  -18.9000
            8   C1b C    19.9249  -19.6000
            9   C1b C    21.1373  -18.9000
            10  C1b C    22.3497  -19.6000
            11  N1y N    23.5622  -18.9000
            12  C1x C    24.7953  -19.6122
            13  C1x C    26.0079  -18.9124
            14  C1y C    26.0081  -17.5124
            15  C1x C    24.7750  -16.8002
            16  C1x C    23.5624  -17.5000
            17  X   F    13.8376  -21.7000
            18  O5a O    18.7186  -17.5003
            19  C1a C    27.2499  -16.7956
BOND        20
            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   14  19 1

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