KEGG   DRUG: Yohimbine
Entry
D08685                      Drug                                   

Name
Yohimbine (DCF)
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.4427
Structure
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
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)
Other DBs
CAS: 146-48-5
PubChem: 96025368
ChEBI: 10093
ChEMBL: CHEMBL15245
DrugBank: DB01392
LigandBox: D08685
NIKKAJI: J9.366A
LinkDB
KCF data

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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