KEGG   DRUG: Piroheptine hydrochlorideHelp
Entry
D01231                      Drug                                   

Name
Piroheptine hydrochloride (JAN);
Trimol (TN)
Formula
C22H25N. HCl
Exact mass
339.1754
Mol weight
339.9015
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
  DG01745  Anticholinergic antiparkinson agent
 DG01745  Anticholinergic antiparkinson agent
 DG01967  Antiparkinson agent
  DG01745  Anticholinergic antiparkinson agent
Remark
Therapeutic category: 1169
Chemical structure group: DG01272
Product (DG01272): D01231<JP>
Efficacy
Antiparkinsonian, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Drug interaction
Structure map
map07057  Antiparkinsonian agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D01231  Piroheptine hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01231  Piroheptine hydrochloride (JAN) <JP>
BRITE hierarchy
Other DBs
CAS: 16378-22-6
PubChem: 7848294
ChEBI: 32018
LigandBox: D01231
NIKKAJI: J327.463B
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1x C    16.4252  -11.3873
            2   C8y C    15.5808  -10.2747
            3   C8y C    15.9169   -8.9142
            4   C2y C    17.1814   -8.3345
            5   C1x C    17.8348  -11.4126
            6   C8y C    18.4383   -8.9585
            7   C8y C    18.7256  -10.3310
            8   C8x C    14.9070   -7.9431
            9   C8x C    13.5614   -8.3323
            10  C8x C    13.2253   -9.6928
            11  C8x C    14.2351  -10.6636
            12  C8x C    20.0604  -10.7693
            13  C8x C    21.1075   -9.8323
            14  C8x C    20.8204   -8.4598
            15  C8x C    19.4853   -8.0215
            16  C2y C    17.1331   -6.9558
            17  C1y C    18.2593   -6.0760
            18  N1y N    17.7706   -4.7330
            19  C1x C    16.3423   -4.7828
            20  C1x C    15.9484   -6.1566
            21  C1a C    19.6187   -6.4657
            22  C1b C    18.4279   -3.4969
            23  C1a C    19.8279   -3.4969
            24  X   Cl   24.0826   -9.5529
BOND        26
            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     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   17  21 1
            25   18  22 1
            26   22  23 1

» Japanese version   » Back

KEGG   DRUG: PiroheptineHelp
Entry
D08395                      Drug                                   

Name
Piroheptine (INN)
Formula
C22H25N
Exact mass
303.1987
Mol weight
303.4406
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
  DG01745  Anticholinergic antiparkinson agent
 DG01745  Anticholinergic antiparkinson agent
 DG01967  Antiparkinson agent
  DG01745  Anticholinergic antiparkinson agent
Remark
Chemical structure group: DG01272
Product (DG01272): D01231<JP>
Efficacy
Antiparkinsonian, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Drug interaction
Structure map
map07057  Antiparkinsonian agents
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D08395  Piroheptine (INN)
BRITE hierarchy
Other DBs
CAS: 16378-21-5
PubChem: 96025081
ChEMBL: CHEMBL2106830
LigandBox: D08395
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    23.4500  -21.8400
            2   C8y C    22.6100  -20.7200
            3   C8y C    22.8900  -19.3900
            4   C2y C    24.1500  -18.8300
            5   C1x C    24.8500  -21.8400
            6   C8y C    25.4100  -19.3900
            7   C8y C    25.6900  -20.7900
            8   C8x C    21.9100  -18.4100
            9   C8x C    20.5800  -18.7600
            10  C8x C    20.2300  -20.1600
            11  C8x C    21.2100  -21.1400
            12  C8x C    27.0200  -21.2100
            13  C8x C    28.0700  -20.3000
            14  C8x C    27.7900  -18.9000
            15  C8x C    26.4600  -18.4800
            16  C2y C    24.1500  -17.4300
            17  C1y C    25.2700  -16.5200
            18  N1y N    24.7800  -15.1900
            19  C1x C    23.3100  -15.2600
            20  C1x C    22.9600  -16.6600
            21  C1a C    26.6000  -16.9400
            22  C1b C    25.4100  -14.0000
            23  C1a C    26.8100  -14.0000
BOND        26
            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     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   17  21 1
            25   18  22 1
            26   22  23 1

» Japanese version   » Back

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