KEGG   DRUG: D01359Help
Entry
D01359                      Drug                                   

Name
Etomidoline (JAN/INN);
Smedolin (TN)
Formula
C23H29N3O2
Exact mass
379.226
Mol weight
379.4953
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Drug group: 
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Etomidoline
      D01359  Etomidoline (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
21590-92-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C    30.2592  -14.9592
            2   C8x C    31.6577  -14.9592
            3   C8y C    32.3569  -13.7481
            4   C8x C    31.6577  -12.5372
            5   C8x C    30.2592  -12.5372
            6   C8y C    29.5600  -13.7481
            7   O2a O    33.7553  -13.7481
            8   C1b C    34.4545  -14.9592
            9   C1b C    35.8529  -14.9592
            10  N1y N    36.5521  -16.1703
            11  C1x C    35.8480  -17.3742
            12  C1x C    36.5472  -18.5852
            13  C1x C    37.9456  -18.5852
            14  C1x C    38.6448  -17.3742
            15  C1x C    37.9456  -16.1631
            16  C8x C    23.9568  -15.4811
            17  C8x C    25.1783  -14.7937
            18  C8x C    25.1474  -17.5968
            19  C8x C    23.9412  -16.8825
            20  C8y C    26.3688  -16.9093
            21  C8y C    26.3794  -15.5000
            22  C1y C    27.7231  -15.0749
            23  N1y N    28.5425  -16.2213
            24  C5x C    27.7056  -17.3549
            25  C1b C    29.9409  -16.2321
            26  C1a C    30.6308  -17.4485
            27  O5x O    28.1277  -18.6882
            28  N1b N    28.1655  -13.7485
BOND        31
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15  10 1
            5     1   2 2
            6     7   8 1
            7     2   3 1
            8     8   9 1
            9     3   4 2
            10    9  10 1
            11    4   5 1
            12    5   6 2
            13    6   1 1
            14   20  21 2
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  20 1
            19   16  17 2
            20   17  21 1
            21   20  18 1
            22   18  19 2
            23   19  16 1
            24   23  25 1
            25    3   7 1
            26   25  26 1
            27   10  11 1
            28   24  27 2
            29   11  12 1
            30   22  28 1
            31   28   6 1

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