KEGG   DRUG: Deptropine citrate
Entry
D07790                      Drug                                   
Name
Deptropine citrate;
Deptropine FNA (TN)
Formula
C23H27NO. C6H8O7
Exact mass
525.2363
Mol weight
525.5901
Structure
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
      D07790  Deptropine citrate
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01114  Deptropine
     D07790  Deptropine citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07790  Deptropine citrate
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01114  Deptropine
Other DBs
CAS: 2169-75-7
PubChem: 96024487
ChEBI: 50190
LigandBox: D07790
NIKKAJI: J300.833I
KCF data

ATOM        38
            1   C1d C    24.9900   -9.1700
            2   C1b C    23.8000   -9.8700
            3   C1b C    26.1800   -9.8700
            4   C6a C    25.6900   -7.9800
            5   O1a O    24.2900   -7.9800
            6   C6a C    22.6100   -9.2400
            7   C6a C    26.1800  -11.2700
            8   O6a O    24.9900   -6.7900
            9   O6a O    27.0900   -7.9800
            10  O6a O    21.3500   -9.9400
            11  O6a O    22.6100   -7.8400
            12  O6a O    27.4400  -11.9700
            13  O6a O    24.9900  -11.9700
            14  C8y C    14.4200  -11.3400
            15  C1y C    15.6100  -10.7800
            16  C8y C    16.8700  -11.2700
            17  C8y C    17.2200  -12.6700
            18  C8y C    14.1400  -12.7400
            19  C1x C    16.3800  -13.7200
            20  C1x C    15.0500  -13.7200
            21  C8x C    13.3700  -10.5000
            22  C8x C    12.1100  -10.9200
            23  C8x C    11.9000  -12.2500
            24  C8x C    12.9500  -13.1600
            25  C8x C    18.5500  -13.0200
            26  C8x C    19.5300  -12.0400
            27  C8x C    19.1800  -10.7800
            28  C8x C    17.8500  -10.3600
            29  O2a O    15.6100   -9.3800
            30  C1y C    14.4200   -8.6800
            31  C1x C    10.7100   -8.4700
            32  C1x C    10.9900   -7.3500
            33  C1y C    11.7600   -8.1900
            34  C1y C    12.1100   -7.0700
            35  N1y N    10.9200   -5.8800
            36  C1x C    13.4400   -8.1900
            37  C1x C    13.2300   -7.0700
            38  C1a C    10.2200   -4.7600
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   16  17 1
            14   14  18 1
            15   17  19 1
            16   15  16 1
            17   18  20 1
            18   14  15 1
            19   19  20 1
            20   14  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   18  24 2
            25   17  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   16  28 2
            30   15  29 1
            31   29  30 1
            32   31  32 1
            33   31  33 1
            34   32  34 1
            35   33  35 1
            36   33  36 1
            37   34  37 1
            38   36  30 1
            39   34  35 1
            40   37  30 1
            41   35  38 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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