KEGG   DRUG: D00110Help
Entry
D00110                      Drug                                   

Name
Cocaine (USP);
Cocaine (TN)
Formula
C17H21NO4
Exact mass
303.1471
Mol weight
303.3529
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Erythroxylum coca [TAX:289672]
Activity
Anesthetic [topical]
Remark
Same as: 
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
Other map
Cocaine addiction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BC Esters of benzoic acid
     N01BC01 Cocaine
      D00110  Cocaine (USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AD Anesthetics, local
     R02AD03 Cocaine
      D00110  Cocaine (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA01 Cocaine
      D00110  Cocaine (USP)
  S02 OTOLOGICALS
   S02D OTHER OTOLOGICALS
    S02DA Analgesics and anesthetics
     S02DA02 Cocaine
      D00110  Cocaine (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel (SCN1A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN2A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN3A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN4A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN5A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN8A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN9A)
     Cocaine
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN10A)
     Cocaine
      D00110  Cocaine (USP)
   K+ channel, KCNH, Kv10-12.x (Ether-a-go-go)
    voltage-gated potassium channel (KCNH2)
     Cocaine
      D00110  Cocaine (USP)
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (noradrenalin transporter)
     Cocaine
      D00110  Cocaine (USP)
    SLC6A3 (dopamine transporter)
     Cocaine
      D00110  Cocaine (USP)
    SLC6A4 (serotonin transporter)
     Cocaine
      D00110  Cocaine (USP)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2D6
   Cocaine
    D00110  Cocaine (USP)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    D00110  Cocaine (USP)
BRITE hierarchy
Other DBs
CAS: 
50-36-2
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1x C    20.1600  -15.2600
            2   C1x C    20.5100  -14.0700
            3   C1y C    21.3500  -14.9800
            4   C1y C    21.7000  -13.7900
            5   N1y N    20.4400  -12.4600
            6   C1x C    23.2400  -14.9800
            7   C1y C    22.9600  -13.7900
            8   C1y C    24.2900  -15.5400
            9   O7a O    25.3400  -16.3800
            10  C7a C    26.5300  -16.3800
            11  C8y C    27.1600  -15.3300
            12  O6a O    27.1600  -17.5700
            13  C1a C    19.6700  -11.2700
            14  C8x C    28.5600  -15.3300
            15  C8x C    29.2600  -14.0700
            16  C8x C    28.5600  -12.8800
            17  C8x C    27.1600  -12.8800
            18  C8x C    26.4600  -14.1400
            19  C7a C    23.5900  -12.5300
            20  O7a O    24.9900  -12.5300
            21  O6a O    22.8200  -11.3400
            22  C1a C    25.6900  -11.2700
BOND        24
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    4   5 1
            13    7   8 1
            14    5  13 1
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   11  18 1
            21    7  19 1 #Up
            22   19  20 1
            23   19  21 2
            24   20  22 1

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