KEGG   DRUG: Nicotine
Entry
D03365                      Drug                                   
Name
Nicotine (USP);
Habitrol (TN)
Product
NICOTROL (Pharmacia & Upjohn Company LLC), NICOTROL (Pharmacia & Upjohn Company LLC)
Formula
C10H14N2
Exact mass
162.1157
Mol weight
162.2316
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
Remark
Same as: C00745
Therapeutic category: 7990
ATC code: N07BA01
Chemical structure group: DG00994
Product (DG00994): D03365<JP/US>
Efficacy
Smoking cessation adjunct
Target
CHRN [HSA:1134 1135 1136 1137 1138 8973 1139 55584 57053 1140 1141 1142 1143 1144 1145 1146] [KO:K04803 K04804 K04805 K04806 K04807 K04808 K04809 K04810 K04811 K04812 K04813 K04814 K04815 K04816 K04817 K04818]
  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
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
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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