KEGG   DRUG: Chlorphenoxamine
Entry
D07198                      Drug                                   

Name
Chlorphenoxamine (INN)
Formula
C18H22ClNO
Exact mass
303.139
Mol weight
303.8264
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA34 R06AA06
Chemical structure group: DG00391
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA34 Chlorphenoxamine
      D07198  Chlorphenoxamine (INN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA06 Chlorphenoxamine
      D07198  Chlorphenoxamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07198  Chlorphenoxamine (INN)
Other DBs
CAS: 77-38-3
PubChem: 51091536
ChEMBL: CHEMBL2110774
LigandBox: D07198
NIKKAJI: J4.200E
LinkDB
KCF data

ATOM        21
            1   C8x C    15.2600  -23.6600
            2   C8y C    15.2600  -25.0600
            3   C8x C    16.4724  -25.7600
            4   C8x C    17.6849  -25.0600
            5   C8y C    17.6849  -23.6600
            6   C8x C    16.4724  -22.9600
            7   C1d C    18.9160  -22.9490
            8   C8y C    20.1212  -23.6447
            9   C8x C    20.1216  -25.0596
            10  C8x C    21.3342  -25.7593
            11  C8x C    22.5465  -25.0589
            12  C8x C    22.5460  -23.6439
            13  C8x C    21.3334  -22.9443
            14  O2a O    18.9157  -21.5601
            15  C1b C    20.1162  -20.8666
            16  C1b C    21.3062  -21.5535
            17  N1c N    22.4960  -20.8662
            18  C1a C    23.6863  -21.5532
            19  C1a C    22.4959  -19.4602
            20  C1a C    17.7036  -22.2490
            21  X   Cl   14.0476  -25.7600
BOND        22
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21    7  20 1
            22    2  21 1

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KEGG   DRUG: Chlorphenoxamine hydrochloride
Entry
D07684                      Drug                                   

Name
Chlorphenoxamine hydrochloride;
Allergex (TN)
Formula
C18H22ClNO. HCl
Exact mass
339.1157
Mol weight
340.2873
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA34 R06AA06
Chemical structure group: DG00391
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA34 Chlorphenoxamine
      D07684  Chlorphenoxamine hydrochloride
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA06 Chlorphenoxamine
      D07684  Chlorphenoxamine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07684  Chlorphenoxamine hydrochloride
Other DBs
CAS: 562-09-4
PubChem: 51091985
ChEMBL: CHEMBL2105980
LigandBox: D07684
LinkDB
KCF data

ATOM        22
            1   X   Cl   29.6101  -24.5000
            2   C8x C    20.1600  -23.6600
            3   C8y C    20.1600  -25.0600
            4   C8x C    21.4200  -25.7600
            5   C8x C    22.6100  -25.0600
            6   C8y C    22.6100  -23.6600
            7   C8x C    21.4200  -22.9600
            8   C1d C    23.8700  -22.8900
            9   C8y C    25.0600  -23.5900
            10  C8x C    25.0600  -25.0600
            11  C8x C    26.2500  -25.7600
            12  C8x C    27.5100  -25.0600
            13  C8x C    27.5100  -23.5900
            14  C8x C    26.2500  -22.8900
            15  O2a O    23.8700  -21.5600
            16  C1b C    25.0600  -20.8600
            17  C1b C    26.2500  -21.4900
            18  N1c N    27.4400  -20.8600
            19  C1a C    28.6300  -21.4900
            20  C1a C    27.4400  -19.3900
            21  C1a C    22.6100  -22.1900
            22  X   Cl   18.9700  -25.7600
BOND        22
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15    8  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 1
            21    8  21 1
            22    3  22 1

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