KEGG   DRUG: MolindoneHelp
Entry
D08226                      Drug                                   

Name
Molindone (INN)
Formula
C16H24N2O2
Exact mass
276.1838
Mol weight
276.374
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
Same as: C07230
ATC code: N05AE02
Chemical structure group: DG00891
Product (DG00891): D00796<US>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
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
    N05AE Indole derivatives
     N05AE02 Molindone
      D08226  Molindone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08226  Molindone (INN)
BRITE hierarchy
Other DBs
CAS: 7416-34-4
PubChem: 96024914
ChEBI: 6965
ChEMBL: CHEMBL460
DrugBank: DB01618
LigandBox: D08226
NIKKAJI: J8.932J
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    22.3300  -17.9200
            2   C8y C    22.3300  -16.5200
            3   C8y C    21.0000  -18.3400
            4   C5x C    23.5200  -18.6200
            5   N4x N    21.0000  -16.1000
            6   C1x C    23.5200  -15.8200
            7   C8y C    20.1600  -17.2200
            8   C1b C    20.5800  -19.6700
            9   C1y C    24.7100  -17.9200
            10  O5x O    23.5200  -20.0200
            11  C1x C    24.7100  -16.5200
            12  C1a C    18.7600  -17.2200
            13  C1a C    19.1800  -20.0200
            14  C1b C    25.9700  -18.6200
            15  N1y N    27.1600  -17.9200
            16  C1x C    28.3500  -18.6200
            17  C1x C    27.1600  -16.5200
            18  C1x C    29.6100  -17.9200
            19  C1x C    28.3500  -15.8200
            20  O2x O    29.6100  -16.5200
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    5   7 1
            21    9  11 1
            22   19  20 1

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