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
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
Pathway map
Cocaine addiction
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
      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) [HSA:6323] [KO:K04833]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN2A) [HSA:6326] [KO:K04834]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN3A) [HSA:6328] [KO:K04836]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN4A) [HSA:6329] [KO:K04837]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN5A) [HSA:6331] [KO:K04838]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN8A) [HSA:6334] [KO:K04840]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN9A) [HSA:6335] [KO:K04841]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    voltage-gated sodium channel (SCN10A) [HSA:6336] [KO:K04842]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
   K+ channel, KCNH, Kv10-12.x (Ether-a-go-go)
    voltage-gated potassium channel (KCNH2) [HSA:3757] [KO:K04905]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (noradrenalin transporter) [HSA:6530] [KO:K05035]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      D00110  Cocaine (USP)
    SLC6A3 (dopamine transporter) [HSA:6531] [KO:K05036]
     Cocaine [ATC:R02AD03]
      D00110  Cocaine (USP)
    SLC6A4 (serotonin transporter) [HSA:6532] [KO:K05037]
     Cocaine [ATC:N01BC01 R02AD03 S01HA01 S02DA02]
      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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