KEGG   DRUG: Deptropine
Entry
D07404                      Drug                                   
Name
Deptropine (INN)
Formula
C23H27NO
Exact mass
333.2093
Mol weight
333.4666
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
      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
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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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)   
All databases (10)   

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