KEGG   DRUG: TolterodineHelp
Entry
D00646                      Drug                                   

Name
Tolterodine (USAN/INN)
Formula
C22H31NO
Exact mass
325.2406
Mol weight
325.4876
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Cyp substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Remark
Same as: C07750
ATC code: G04BD07
Chemical structure group: DG00480
Product (DG00480): D01148<JP/US>
Efficacy
Overactive bladder agent, Muscarinic acetylcholine receptor antagonist
Target
CHRM3 [HSA:1131] [KO:K04131]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BD Urinary antispasmodics
     G04BD07 Tolterodine
      D00646  Tolterodine (USAN/INN)
USP drug classification [BR:br08302]
 Genitourinary Agents
  Antispasmodics, Urinary
   Tolterodine
    D00646  Tolterodine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM3
     D00646  Tolterodine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 124937-51-5
PubChem: 7847712
ChEBI: 9622
ChEMBL: CHEMBL1382
DrugBank: DB01036
LigandBox: D00646
NIKKAJI: J561.859B
KCF data Show

ATOM        24
            1   C1c C    14.3599  -16.8800
            2   N1c N    15.5739  -17.5809
            3   C1b C    16.7880  -16.8800
            4   C1b C    18.0020  -17.5809
            5   C1c C    19.2160  -16.8800
            6   C8y C    20.4301  -17.5809
            7   C8x C    21.6441  -16.8800
            8   C8y C    22.8582  -17.5809
            9   C1a C    24.0723  -16.8800
            10  C1a C    13.1458  -17.5809
            11  C1a C    14.3599  -15.4781
            12  C1c C    15.5739  -18.9825
            13  C1a C    14.3430  -19.6934
            14  C1a C    16.7711  -19.6739
            15  C8y C    19.2160  -15.4782
            16  C8y C    20.4301  -18.9824
            17  C8x C    22.8582  -18.9826
            18  C8x C    21.6650  -19.6957
            19  O1a O    19.2369  -19.6715
            20  C8x C    20.4152  -14.7858
            21  C8x C    20.4151  -13.3839
            22  C8x C    19.2010  -12.6831
            23  C8x C    18.0018  -13.3755
            24  C8x C    18.0019  -14.7774
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     5   4 1 #Down
            5     5   6 1
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     1  10 1
            10    1  11 1
            11    2  12 1
            12   12  13 1
            13   12  14 1
            14    5  15 1
            15    6  16 2
            16    8  17 1
            17   16  18 1
            18   18  17 2
            19   16  19 1
            20   15  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   15  24 1

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