KEGG   DRUG: Laropiprant
Entry
D08940                      Drug                                   
Name
Laropiprant (INN/USAN)
Formula
C21H19ClFNO4S
Exact mass
435.0707
Mol weight
435.90
Structure
Efficacy
Anti-atherosclerotic, Antidyslipidemia, Prostaglandin D2 receptor antagonist
Comment
Treatment of atherosclerosis, dyslipidemia, and conditions when administered with niacin
Target
PTGDR [HSA:5729] [KO:K04332]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGDR
     D08940  Laropiprant (INN/USAN)
Other DBs
CAS: 571170-77-9
PubChem: 96025623
LigandBox: D08940
LinkDB
KCF data

ATOM        29
            1   C8y C    15.6800  -13.2300
            2   C8x C    15.6800  -14.6300
            3   C8y C    16.8924  -15.3300
            4   C8y C    18.1049  -14.6300
            5   C8y C    18.1049  -13.2300
            6   C8x C    16.8924  -12.5300
            7   N4y N    19.4364  -15.0626
            8   C8y C    20.2593  -13.9300
            9   C8y C    19.4364  -12.7974
            10  C1y C    21.5908  -13.4974
            11  C1x C    21.5908  -12.0974
            12  C1x C    20.2593  -11.6647
            13  X   F    14.4676  -12.5300
            14  S4a S    16.8924  -16.7298
            15  C1a C    16.8924  -18.1298
            16  O3c O    15.4700  -16.7298
            17  O3c O    18.2700  -16.7298
            18  C1b C    19.8675  -16.3894
            19  C8y C    21.2469  -16.6827
            20  C8x C    21.6761  -18.0028
            21  C8x C    23.0455  -18.2937
            22  C8y C    23.9821  -17.2531
            23  C8x C    23.5529  -15.9330
            24  C8x C    22.1835  -15.6421
            25  X   Cl   25.3709  -17.5486
            26  C1b C    22.7088  -14.3101
            27  C6a C    23.9744  -13.7466
            28  O6a O    25.0719  -14.5439
            29  O6a O    24.1236  -12.3321
BOND        32
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15    1  13 1
            16    3  14 1
            17   14  15 1
            18   14  16 2
            19   14  17 2
            20    7  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   22  25 1
            29   10  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   27  29 2

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