KEGG   DRUG: Nicotine
Entry
D03365                      Drug                                   
Name
Nicotine (USP);
Habitrol (TN)
Product
Formula
C10H14N2
Exact mass
162.1157
Mol weight
162.23
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
Unclassified
 DG01715  Drugs for nicotine dependence
Remark
Same as: C00745
Therapeutic category: 7990
ATC code: N07BA01
Chemical structure group: DG00994
Product (DG00994): D03365<JP/US>
Efficacy
Smoking cessation adjunct
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa05033  Nicotine addiction
Metabolism
Enzyme: CYP2A6 [HSA:1548]
Interaction
CYP induction: CYP1A2 [HSA:1544]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BA Drugs used in nicotine dependence
     N07BA01 Nicotine
      D03365  Nicotine (USP) <JP/US>
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Smoking Cessation Agents
   Nicotine
    D03365  Nicotine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  79  Other agents not mainly for therapeutic purpose
   799  Miscellaneous
    7990  Miscellaneous
     D03365  Nicotine (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Stop smoking aid
  77 Stop smoking aid
   D03365  Nicotine (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG00994  Nicotine
    D03365  Nicotine
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   DG00994  Nicotine
    D03365  Nicotine
 Unclassified
  DG01715  Drugs for nicotine dependence
   DG00994  Nicotine
    D03365  Nicotine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D03365  Nicotine (USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03365
Rx-to-OTC switch list in the USA [br08315.html]
 D03365
Rx-to-OTC switch list in Japan [br08314.html]
 D03365
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG00994  Nicotine
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   DG00994  Nicotine
 Unclassified
  DG01715  Drugs for nicotine dependence
   DG00994  Nicotine
Other DBs
CAS: 54-11-5
PubChem: 17397514
ChEBI: 17688
PDB-CCD: NCT[PDBj]
LigandBox: D03365
NIKKAJI: J9.266E
LinkDB
KCF data

ATOM        12
            1   C8x C    29.1341  -17.6496
            2   C8x C    29.1341  -19.0503
            3   N5x N    30.3471  -19.7507
            4   C8x C    31.5602  -19.0503
            5   C8y C    31.5602  -17.6496
            6   C8x C    30.3471  -16.9493
            7   C1y C    32.7920  -16.9383
            8   C1x C    34.1270  -17.3204
            9   C1x C    34.9074  -16.1695
            10  C1x C    34.0540  -15.0718
            11  N1y N    32.7463  -15.5441
            12  C1a C    31.5702  -14.7465
BOND        13
            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     7   5 1 #Up
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   11  12 1

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