KEGG   DRUG: Aplindore fumarate
Entry
D03214                      Drug                                   

Name
Aplindore fumarate (USAN)
Formula
C18H18N2O3. C4H4O4
Exact mass
426.1427
Mol weight
426.4193
Structure
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
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)
Other DBs
CAS: 189681-71-8
PubChem: 17397367
ChEMBL: CHEMBL2104864
LigandBox: D03214
LinkDB
KCF data

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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