KEGG   DRUG: Nantradol hydrochloride
Entry
D05117                      Drug                                   

Name
Nantradol hydrochloride (USAN)
Formula
C27H35NO4. HCl
Exact mass
473.2333
Mol weight
474.032
Structure
Simcomp
Efficacy
Analgesic
Comment
See Levonantradol [DR:D04717]
Target
CNR1 [HSA:1268] [KO:K04277]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04723  Retrograde endocannabinoid signaling
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR1
     D05117  Nantradol hydrochloride (USAN)
Other DBs
CAS: 65511-42-4
PubChem: 47206842
ChEMBL: CHEMBL2106792
LigandBox: D05117
NIKKAJI: J244.437B
LinkDB
KCF data

ATOM        33
            1   C1x C    40.5300  -26.9500
            2   C1y C    40.5300  -28.3500
            3   C1y C    41.7200  -29.0500
            4   C1x C    42.9800  -28.3500
            5   C1x C    42.9800  -26.9500
            6   C1y C    41.7200  -26.2500
            7   C8y C    39.3400  -29.0500
            8   C8y C    39.3400  -30.4500
            9   N1x N    40.5300  -31.1500
            10  C1y C    41.7200  -30.4500
            11  C8y C    38.0800  -28.3500
            12  C8x C    36.8900  -29.0500
            13  C8y C    36.8900  -30.4500
            14  C8x C    38.0800  -31.1500
            15  O1a O    41.7200  -24.8500
            16  C1a C    42.9100  -31.1500
            17  O7a O    38.0800  -26.9500
            18  C7a C    36.8900  -26.2500
            19  C1a C    35.7000  -26.9500
            20  O6a O    36.8900  -24.8500
            21  O2a O    35.7000  -31.1500
            22  C1c C    34.5100  -30.4500
            23  C1b C    33.3200  -31.1500
            24  C1a C    34.5100  -29.0500
            25  C1b C    32.1300  -30.4500
            26  C1b C    30.9400  -31.1500
            27  C8y C    29.7500  -30.4500
            28  C8x C    29.7500  -29.0500
            29  C8x C    28.4900  -28.3500
            30  C8x C    27.3000  -29.0500
            31  C8x C    27.3000  -30.4500
            32  C8x C    28.4900  -31.1500
            33  X   Cl   47.4600  -28.5600
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    7  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    8  14 2
            17    6  15 1 #Down
            18   10  16 1 #Down
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1

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