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

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