Isothipendyl

Entry

D08091                      Drug

Name

Isothipendyl (INN);
Actapront (TN)

Formula

C16H19N3S

Exact mass

285.13

Mol weight

285.4072

Structure

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

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)
Drug groups [BR:br08330]
Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00389  Isothipendyl
     D08091  Isothipendyl
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08091  Isothipendyl (INN)
Drug groups [BR:br08330]
Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00389  Isothipendyl

Other DBs

CAS:

482-15-5

PubChem:

96024781

LigandBox:

D08091

NIKKAJI:

J5.785A

KCF data

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