KEGG   DRUG: MetoquizineHelp
Entry
D05012                      Drug                                   

Name
Metoquizine (USAN/INN)
Formula
C22H27N5O
Exact mass
377.2216
Mol weight
377.4827
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-ulcerative, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04971  Gastric acid secretion
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D05012  Metoquizine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 7125-67-9
PubChem: 47206739
ChEMBL: CHEMBL3989641
LigandBox: D05012
NIKKAJI: J8.895A
KCF data Show

ATOM        28
            1   C1y C    30.9741  -17.3583
            2   C8y C    29.7999  -18.0464
            3   C1y C    32.1540  -18.0408
            4   C1x C    30.9741  -15.9932
            5   C8y C    29.7999  -19.4115
            6   C8x C    28.6142  -17.3639
            7   N1y N    33.3340  -17.3583
            8   C1x C    32.1599  -19.4058
            9   C1y C    32.1540  -15.3165
            10  C8y C    30.9741  -20.0884
            11  C8y C    28.6142  -20.0884
            12  C8x C    27.4400  -18.0464
            13  C1x C    33.3340  -15.9932
            14  C1a C    34.5082  -18.0349
            15  N1b N    32.1424  -13.9514
            16  C8x C    30.9741  -21.4534
            17  N4y N    28.6142  -21.4534
            18  C8x C    27.4342  -19.4115
            19  C5a C    33.3224  -13.2689
            20  O5a O    33.3166  -11.9040
            21  N4y N    34.4966  -13.9457
            22  C1a C    27.5697  -22.4979
            23  N5x N    34.4848  -15.3340
            24  C8y C    35.8035  -15.7732
            25  C8x C    36.6287  -14.6546
            26  C8y C    35.8200  -13.5243
            27  C1a C    36.2173  -17.0802
            28  C1a C    36.2549  -12.2183
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14    9  15 1 #Up
            15   10  16 2
            16   11  17 1
            17   11  18 2
            18   15  19 1
            19   19  20 2
            20   19  21 1
            21    8  10 1
            22    9  13 1
            23   12  18 1
            24   16  17 1
            25   17  22 1
            26   21  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   21  26 1
            31   24  27 1
            32   26  28 1

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