KEGG   DRUG: Isothipendyl hydrochlorideHelp
Entry
D01143                      Drug                                   

Name
Isothipendyl hydrochloride (JAN);
Andantol (TN)
Formula
C16H19N3S. HCl
Exact mass
321.1066
Mol weight
321.8681
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA22 R06AD09
Chemical structure group: DG00389
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Phenothiazine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
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
     D04AA22 Isothipendyl
      D01143  Isothipendyl hydrochloride (JAN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD09 Isothipendyl
      D01143  Isothipendyl hydrochloride (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D01143  Isothipendyl hydrochloride (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Isothipendyl
    D01143  Isothipendyl hydrochloride (JAN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Isothipendyl
    D01143  Isothipendyl hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01143  Isothipendyl hydrochloride (JAN)
Rx-to-OTC switch list in Japan [br08314.html]
 D01143
BRITE hierarchy
Other DBs
CAS: 1225-60-1
PubChem: 7848206
ChEBI: 31734
ChEMBL: CHEMBL2107246
LigandBox: D01143
NIKKAJI: J349.700C
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    17.7983  -18.1282
            2   C8x C    17.7983  -19.5298
            3   C8x C    19.0150  -20.2305
            4   C8x C    19.0150  -17.4275
            5   C8y C    20.2246  -18.1282
            6   C8y C    20.2184  -19.5298
            7   S2x S    21.4292  -20.2356
            8   N4y N    21.4412  -17.4326
            9   C8y C    22.6520  -18.1386
            10  C8y C    22.7092  -19.5364
            11  C8x C    23.8435  -20.2463
            12  C8x C    25.0604  -19.5583
            13  C8x C    25.0731  -18.1605
            14  N5x N    23.8688  -17.4506
            15  C1b C    21.4472  -16.0311
            16  C1c C    22.6639  -15.3356
            17  N1c N    22.6700  -13.9341
            18  C1a C    23.8746  -16.0414
            19  C1a C    23.8867  -13.2386
            20  C1a C    21.4592  -13.2282
            21  X   Cl   28.4228  -16.9956
BOND        22
            1     5   4 2
            2     4   1 1
            3     1   2 2
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    2   3 1
            11    8  15 1
            12    5   6 1
            13   15  16 1
            14    6   7 1
            15   16  17 1
            16    7  10 1
            17   16  18 1
            18    9   8 1
            19   17  19 1
            20    8   5 1
            21   17  20 1
            22    3   6 2

» Japanese version   » Back

KEGG   DRUG: IsothipendylHelp
Entry
D08091                      Drug                                   

Name
Isothipendyl (INN);
Actapront (TN)
Formula
C16H19N3S
Exact mass
285.13
Mol weight
285.4072
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA22 R06AD09
Chemical structure group: DG00389
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Phenothiazine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
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
     D04AA22 Isothipendyl
      D08091  Isothipendyl (INN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD09 Isothipendyl
      D08091  Isothipendyl (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Isothipendyl
    D08091  Isothipendyl (INN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Isothipendyl
    D08091  Isothipendyl (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08091  Isothipendyl (INN)
BRITE hierarchy
Other DBs
CAS: 482-15-5
PubChem: 96024781
ChEMBL: CHEMBL2111066
LigandBox: D08091
NIKKAJI: J5.785A
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    20.5100  -19.3200
            2   C8x C    20.5100  -20.7200
            3   C8x C    21.7700  -21.4200
            4   C8x C    21.7700  -18.6200
            5   C8y C    22.9600  -19.3200
            6   C8y C    22.9600  -20.7200
            7   S2x S    24.1500  -21.4200
            8   N4y N    24.1500  -18.6200
            9   C8y C    25.4100  -19.3200
            10  C8y C    25.4100  -20.7200
            11  C8x C    26.6000  -21.4200
            12  C8x C    27.7900  -20.7200
            13  C8x C    27.7900  -19.3200
            14  N5x N    26.6000  -18.6200
            15  C1b C    24.1500  -17.2200
            16  C1c C    25.4100  -16.5200
            17  N1c N    25.4100  -15.1200
            18  C1a C    26.6000  -17.2200
            19  C1a C    26.6000  -14.4200
            20  C1a C    24.2200  -14.4200
BOND        22
            1     5   4 2
            2     4   1 1
            3     1   2 2
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    2   3 1
            11    8  15 1
            12    5   6 1
            13   15  16 1
            14    6   7 1
            15   16  17 1
            16    7  10 1
            17   16  18 1
            18    9   8 1
            19   17  19 1
            20    8   5 1
            21   17  20 1
            22    3   6 2

» Japanese version   » Back

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