KEGG   DRUG: D02182Help
Entry
D02182                      Drug                                   

Name
Cocaine hydrochloride (JP16/USP);
Cocaine hydrochloride (TN)
Product
  Other
Formula
C17H21NO4. HCl
Exact mass
339.1237
Mol weight
339.8139
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anesthetic [topical]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
serotonin transporter inhibitor [HSA:6532] [KO:K05037];
dopamine transporter inhibitor [HSA:6531] [KO:K05036];
noradrenalin transporter inhibitor [HSA:6530] [KO:K05035];
voltage-gated potassium channel (KCNH2) blocker [HSA:3757] [KO:K04905];
voltage-gated sodium channel (SCN10A) blocker [HSA:6336] [KO:K04842];
voltage-gated sodium channel (SCN1A) blocker [HSA:6323] [KO:K04833];
voltage-gated sodium channel (SCN2A) blocker [HSA:6326] [KO:K04834];
voltage-gated sodium channel (SCN3A) blocker [HSA:6328] [KO:K04836];
voltage-gated sodium channel (SCN4A) blocker [HSA:6329] [KO:K04837];
voltage-gated sodium channel (SCN5A) blocker [HSA:6331] [KO:K04838];
voltage-gated sodium channel (SCN8A) blocker [HSA:6326] [KO:K04834];
voltage-gated sodium channel (SCN9A) blocker [HSA:6335] [KO:K04841]
  Pathway
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
hsa05030  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 (JP16/USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AD Anesthetics, local
     R02AD03 Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA01 Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
  S02 OTOLOGICALS
   S02D OTHER OTOLOGICALS
    S02DA Analgesics and anesthetics
     S02DA02 Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 8  Narcotics
  81  Alkaloidal narcotics
   812  Coca alkaloids
    8121  Cocaines
     D02182  Cocaine hydrochloride (JP16/USP)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (noradrenalin transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
    SLC6A3 (dopamine transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
    SLC6A4 (serotonin transporter)
     Cocaine
      D02182  Cocaine hydrochloride (JP16/USP)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2D6
   Cocaine
    D02182  Cocaine hydrochloride (JP16/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)
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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