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URL: https://www.kegg.jp/entry/D07404

⇱ KEGG DRUG: Deptropine

👁 KEGG
Entry
D07404                      Drug                                   
Name
Deptropine (INN)
Formula
C23H27NO
Exact mass
333.2093
Mol weight
333.47
Structure 👁 Image

Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AX16
Chemical structure group: DG01114
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX16 Deptropine
      D07404  Deptropine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01114  Deptropine
     D07404  Deptropine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07404  Deptropine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01114  Deptropine
Other DBs
CAS: 604-51-3
PubChem: 51091740
ChEBI: 50189
LigandBox: D07404
NIKKAJI: J8.645B
LinkDB
KCF data

ATOM        25
            1   C8y C    32.4800  -17.7800
            2   C1y C    33.7400  -17.1500
            3   C8y C    35.0000  -17.7100
            4   C8y C    35.3500  -19.1100
            5   C8y C    32.2000  -19.1800
            6   C1x C    34.5100  -20.2300
            7   C1x C    33.1100  -20.2300
            8   C8x C    31.4300  -16.8700
            9   C8x C    30.1000  -17.2900
            10  C8x C    29.8900  -18.6900
            11  C8x C    30.9400  -19.6000
            12  C8x C    36.7500  -19.4600
            13  C8x C    37.7300  -18.4800
            14  C8x C    37.3800  -17.1500
            15  C8x C    36.0500  -16.7300
            16  O2a O    33.7400  -15.7500
            17  C1y C    32.4800  -15.0500
            18  C1x C    28.6300  -14.7700
            19  C1x C    28.9800  -13.6500
            20  C1y C    29.7500  -14.4900
            21  C1y C    30.1000  -13.3700
            22  N1y N    28.9100  -12.1100
            23  C1x C    31.5000  -14.4900
            24  C1x C    31.2900  -13.3700
            25  C1a C    28.1400  -10.9900
BOND        29
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 2
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    3  15 2
            18    2  16 1
            19   16  17 1
            20   18  19 1
            21   18  20 1
            22   19  21 1
            23   20  22 1
            24   20  23 1
            25   21  24 1
            26   23  17 1
            27   21  22 1
            28   24  17 1
            29   22  25 1

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