KEGG   DRUG: Aplindore fumarateHelp
Entry
D03214                      Drug                                   

Name
Aplindore fumarate (USAN)
Formula
C18H18N2O3. C4H4O4
Exact mass
426.1427
Mol weight
426.4193
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01472  Dopamine agonist
  DG01468  Dopamine D2-receptor agonist
Efficacy
Antipsychotic
Target
DRD2 [HSA:1813] [KO:K04145]
DRD3 [HSA:1814] [KO:K04146]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D03214  Aplindore fumarate (USAN)
    DRD3
     D03214  Aplindore fumarate (USAN)
BRITE hierarchy
Other DBs
CAS: 189681-71-8
PubChem: 17397367
ChEMBL: CHEMBL2104864
LigandBox: D03214
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1y C    19.4433  -18.8491
            2   O2x O    18.2348  -18.1403
            3   C1x C    19.4376  -20.2436
            4   C8y C    17.0204  -18.8375
            5   O2x O    18.2232  -20.9352
            6   C8y C    17.0148  -20.2378
            7   C8y C    15.8178  -18.1346
            8   C8x C    15.8178  -20.9293
            9   C8y C    14.6034  -18.8375
            10  C8x C    14.6034  -20.2378
            11  C1b C    23.0748  -18.1577
            12  N1b N    21.8663  -18.8608
            13  C1b C    20.6577  -18.1518
            14  C8y C    24.2805  -18.8487
            15  C8x C    24.2853  -20.2747
            16  C8x C    25.4987  -20.9696
            17  C8x C    26.7072  -20.2663
            18  C8x C    26.7723  -18.8404
            19  C8x C    25.4889  -18.1453
            20  C1x C    15.5244  -16.7624
            21  C5x C    14.1288  -16.6173
            22  N1x N    13.5596  -17.8998
            23  O5x O    13.4375  -15.4236
            24  C2b C    31.7712  -19.8671
            25  C2b C    32.9549  -19.1708
            26  C6a C    30.5874  -19.2404
            27  C6a C    34.2081  -19.8671
            28  O6a O    29.3342  -19.9367
            29  O6a O    30.5874  -17.7781
            30  O6a O    35.3920  -19.1708
            31  O6a O    34.2081  -21.2596
BOND        33
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    5   6 1
            11    9  10 2
            12   12  13 1
            13   11  12 1
            14    1  13 1 #Up
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    7  20 1
            23   20  21 1
            24   21  22 1
            25    9  22 1
            26   21  23 2
            27   24  25 2
            28   24  26 1
            29   25  27 1
            30   26  28 1
            31   26  29 2
            32   27  30 1
            33   27  31 2

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