KEGG   DRUG: LofexidineHelp
Entry
D08141                      Drug                                   

Name
Lofexidine (INN)
Formula
C11H12Cl2N2O
Exact mass
258.0327
Mol weight
259.1318
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
    DG01655  alpha2-adrenergic receptor specific agonist
Other
 DG01718  Drugs for addictive disorder
  DG01717  Drugs for opioid dependence
Remark
ATC code: N07BC04
Chemical structure group: DG01001
Product (DG01001): D04765<US>
Efficacy
Antihypertensive, Vasodilator, alpha2-Adrenergic receptor agonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC04 Lofexidine
      D08141  Lofexidine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D08141  Lofexidine (INN)
BRITE hierarchy
Other DBs
CAS: 31036-80-3
PubChem: 96024831
ChEMBL: CHEMBL17860
DrugBank: DB04948
LigandBox: D08141
NIKKAJI: J20.359I
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8x C    20.0900  -18.1300
            2   C8x C    20.0900  -19.5300
            3   C8x C    21.3500  -20.2300
            4   C8y C    22.5400  -19.5300
            5   C8y C    22.5400  -18.1300
            6   C8y C    21.3500  -17.4300
            7   X   Cl   21.3500  -16.0300
            8   X   Cl   23.8000  -20.2300
            9   O2a O    23.8000  -17.4300
            10  C1c C    24.9900  -18.1300
            11  C2y C    26.1800  -17.4300
            12  C1a C    24.9900  -19.5300
            13  N1x N    27.5100  -17.8500
            14  C1x C    28.2800  -16.7300
            15  C1x C    27.5100  -15.6100
            16  N2x N    26.1800  -16.0300
BOND        17
            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     6   7 1
            8     4   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 2

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