KEGG   DRUG: YohimbineHelp
Entry
D08685                      Drug                                   

Name
Yohimbine (DCF)
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.4427
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Remark
Same as: C09256
ATC code: G04BE04
Chemical structure group: DG00485
Efficacy
alpha2-Adrenergic receptor antagonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE04 Yohimbin
      D08685  Yohimbine (DCF)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Yohimbine
    D08685  Yohimbine (DCF)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D08685  Yohimbine (DCF)
BRITE hierarchy
Other DBs
CAS: 146-48-5
PubChem: 96025368
ChEBI: 10093
ChEMBL: CHEMBL15245
DrugBank: DB01392
LigandBox: D08685
NIKKAJI: J9.366A
KCF data Show

ATOM        26
            1   C8x C    18.4800  -15.9600
            2   C8x C    18.4800  -17.2900
            3   C8x C    19.7400  -17.9900
            4   C8x C    19.6700  -15.1900
            5   C8y C    20.8600  -15.8900
            6   C8y C    20.8600  -17.2200
            7   C1x C    24.0800  -13.8600
            8   C1x C    22.6800  -14.0700
            9   N1y N    24.9200  -14.9800
            10  C1y C    24.3600  -16.2400
            11  C1x C    25.2700  -17.3600
            12  C1x C    26.2500  -14.7700
            13  C1y C    27.1600  -15.8900
            14  C1y C    26.6000  -17.1500
            15  C1y C    27.4400  -18.2000
            16  C1y C    28.8400  -18.0600
            17  C1x C    29.3300  -16.7300
            18  C1x C    28.4900  -15.6800
            19  C7a C    26.8800  -19.6000
            20  C8y C    23.0300  -16.4500
            21  C8y C    22.1900  -15.4000
            22  N4x N    22.2600  -17.6400
            23  O1a O    29.8900  -19.0400
            24  O7a O    27.7900  -20.7200
            25  C1a C    27.2300  -22.0500
            26  O6a O    25.4800  -19.9500
BOND        30
            1     1   2 1
            2    20  10 1
            3     9   7 1
            4     7   8 1
            5    13  14 1
            6    14  15 1
            7    15  16 1
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11    8  21 1
            12   15  19 1 #Down
            13    2   3 2
            14    3   6 1
            15    5   4 1
            16   20  21 2
            17   21   5 1
            18    6  22 1
            19   22  20 1
            20    4   1 2
            21   16  23 1 #Down
            22    9  10 1
            23   19  24 1
            24   10  11 1
            25   24  25 1
            26   11  14 1
            27   19  26 2
            28   13  12 1
            29   12   9 1
            30    5   6 2

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