KEGG   DRUG: Cocaine hydrochlorideHelp
Entry
D02182                      Drug                                   

Name
Cocaine hydrochloride (JP17/USP);
Cocaine hydrochloride (TN)
Product
  Other
Formula
C17H21NO4. HCl
Exact mass
339.1237
Mol weight
339.8139
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01675  Local anesthetic
  DG01674  Esterified local anesthetic
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Anesthetic (topical), Narcotic
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037];
SLC6A3 (DAT1) [HSA:6531] [KO:K05036];
SLC6A2 (NAT1) [HSA:6530] [KO:K05035];
KCNH2 [HSA:3757] [KO:K04905];
SCN10A [HSA:6336] [KO:K04842];
SCN1A [HSA:6323] [KO:K04833];
SCN2A [HSA:6326] [KO:K04834];
SCN3A [HSA:6328] [KO:K04836];
SCN4A [HSA:6329] [KO:K04837];
SCN5A [HSA:6331] [KO:K04838];
SCN8A [HSA:6334] [KO:K04840];
SCN9A [HSA:6335] [KO:K04841]
  Pathway
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Local analgesics
Benzoic acid family
Sodium channel blocking drugs
Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BC Esters of benzoic acid
     N01BC01 Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AD Anesthetics, local
     R02AD03 Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA01 Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
  S02 OTOLOGICALS
   S02D OTHER OTOLOGICALS
    S02DA Analgesics and anesthetics
     S02DA02 Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 8  Narcotics
  81  Alkaloidal narcotics
   812  Coca alkaloids
    8121  Cocaines
     D02182  Cocaine hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (noradrenalin transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
    SLC6A3 (dopamine transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
    SLC6A4 (serotonin transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP17/USP)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Cocaine
    D02182  Cocaine hydrochloride (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02182  Cocaine hydrochloride
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    D02182  Cocaine hydrochloride (JP15/USP)
Anesthetics, analgesics and anti-inflammatory drugs [br08369.html]
 Anesthetics
  D02182
BRITE hierarchy
Other DBs
CAS: 
53-21-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   X   Cl   31.4535  -15.3767
            2   C1x C    19.8800  -16.3800
            3   C1x C    20.2300  -15.1900
            4   C1y C    21.0700  -16.1000
            5   C1y C    21.4200  -14.9100
            6   N1y N    20.1600  -13.5800
            7   C1x C    22.9600  -16.1000
            8   C1y C    22.6800  -14.9100
            9   C1y C    24.0100  -16.6600
            10  O7a O    25.0600  -17.5000
            11  C7a C    26.2500  -17.5000
            12  C8y C    26.8800  -16.4500
            13  O6a O    26.8800  -18.6900
            14  C1a C    19.3900  -12.3900
            15  C8x C    28.2800  -16.4500
            16  C8x C    28.9800  -15.1900
            17  C8x C    28.2800  -14.0000
            18  C8x C    26.8800  -14.0000
            19  C8x C    26.1800  -15.2600
            20  C7a C    23.3100  -13.6500
            21  O7a O    24.7100  -13.6500
            22  O6a O    22.5400  -12.4600
            23  C1a C    25.4100  -12.3900
BOND        24
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     7   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   11  13 2
            12    5   6 1
            13    8   9 1
            14    6  14 1
            15   12  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   12  19 1
            21    8  20 1 #Up
            22   20  21 1
            23   20  22 2
            24   21  23 1

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