KEGG   DRUG: EmbramineHelp
Entry
D07889                      Drug                                   

Name
Embramine (INN)
Formula
C18H22BrNO
Exact mass
347.0885
Mol weight
348.2774
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07889  Embramine (INN)
BRITE hierarchy
Other DBs
CAS: 3565-72-8
PubChem: 96024585
ChEMBL: CHEMBL2110819
LigandBox: D07889
NIKKAJI: J8.149C
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    15.4000  -17.9200
            2   C8y C    15.4000  -19.3200
            3   C8x C    16.6124  -20.0200
            4   C8x C    17.8249  -19.3200
            5   C8y C    17.8249  -17.9200
            6   C8x C    16.6124  -17.2200
            7   C1d C    19.0560  -17.2090
            8   C8y C    20.2611  -17.9047
            9   C8x C    20.2616  -19.3196
            10  C8x C    21.4742  -20.0193
            11  C8x C    22.6864  -19.3189
            12  C8x C    22.6860  -17.9040
            13  C8x C    21.4734  -17.2043
            14  O2a O    20.0459  -16.2191
            15  C1a C    18.0661  -16.2191
            16  X   Br   14.1876  -20.0200
            17  C1b C    21.3789  -16.5766
            18  C1b C    22.3478  -15.6080
            19  N1c N    23.6839  -15.9662
            20  C1a C    24.6649  -14.9853
            21  C1a C    24.0428  -17.3067
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16    7  15 1
            17    2  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 1

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