KEGG   DRUG: Proxymetacaine
Entry
D08448                      Drug                                   
Name
Proxymetacaine (INN);
Proparacaine
Formula
C16H26N2O3
Exact mass
294.1943
Mol weight
294.3892
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
Remark
Same as: C07383
ATC code: S01HA04
Chemical structure group: DG01145
Product (DG01145): D02098<US>
Efficacy
Anesthetic (local)
Target
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]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
Interaction
Structure map
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA04 Proxymetacaine
      D08448  Proxymetacaine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01145  Proxymetacaine
     D08448  Proxymetacaine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D08448  Proxymetacaine (INN)
    SCN2A
     D08448  Proxymetacaine (INN)
    SCN3A
     D08448  Proxymetacaine (INN)
    SCN4A
     D08448  Proxymetacaine (INN)
    SCN5A
     D08448  Proxymetacaine (INN)
    SCN8A
     D08448  Proxymetacaine (INN)
    SCN9A
     D08448  Proxymetacaine (INN)
    SCN10A
     D08448  Proxymetacaine (INN)
    SCN11A
     D08448  Proxymetacaine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01145  Proxymetacaine
Other DBs
CAS: 499-67-2
PubChem: 96025134
ChEBI: 8485
LigandBox: D08448
NIKKAJI: J6.177H
LinkDB
KCF data

ATOM        21
            1   C8y C    23.5200  -17.5700
            2   C8x C    22.3300  -18.2700
            3   C8x C    23.5200  -16.1700
            4   C7a C    24.7800  -18.3400
            5   C8y C    21.1400  -17.5700
            6   C8x C    22.3300  -15.4700
            7   O7a O    25.9700  -17.6400
            8   O6a O    24.7800  -19.7400
            9   C8y C    21.1400  -16.1700
            10  N1a N    19.8800  -18.2700
            11  C1b C    27.1600  -18.3400
            12  O2a O    19.8800  -15.4700
            13  C1b C    28.4200  -17.6400
            14  C1b C    18.6900  -16.1700
            15  N1c N    29.6100  -18.3400
            16  C1b C    17.5000  -15.4700
            17  C1b C    30.8000  -17.6400
            18  C1b C    29.6100  -19.7400
            19  C1a C    16.3100  -16.1700
            20  C1a C    31.9900  -18.3400
            21  C1a C    30.8000  -20.4400
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    6   9 2

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KEGG   DRUG: Proparacaine hydrochloride
Entry
D02098                      Drug                                   
Name
Proparacaine hydrochloride (USP);
Alcaine (TN);
Ophthetic (TN)
Product
  Generic
Formula
C16H26N2O3. HCl
Exact mass
330.171
Mol weight
330.8502
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
Remark
ATC code: S01HA04
Chemical structure group: DG01145
Product (DG01145): D02098<US>
Efficacy
Anesthetic (topical, ophthalmic)
Target
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]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
Interaction
Structure map
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA04 Proxymetacaine
      D02098  Proparacaine hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01145  Proxymetacaine
     D02098  Proparacaine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN2A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN3A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN4A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN5A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN8A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN9A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN10A
     D02098  Proparacaine hydrochloride (USP) <US>
    SCN11A
     D02098  Proparacaine hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01145  Proxymetacaine
Other DBs
CAS: 5875-06-9
PubChem: 7849159
LigandBox: D02098
NIKKAJI: J220.046E
LinkDB
KCF data

ATOM        22
            1   C8y C    24.7791  -18.1883
            2   C8x C    23.5468  -18.8775
            3   C8x C    24.7850  -16.7810
            4   C7a C    25.9880  -18.8892
            5   C8y C    22.3495  -18.1707
            6   C8x C    23.5702  -16.0685
            7   O7a O    27.1969  -18.2000
            8   O6a O    25.9763  -20.2967
            9   C8y C    22.3555  -16.7751
            10  N1a N    21.1289  -18.8599
            11  C1b C    28.4118  -18.9008
            12  O2a O    21.1465  -16.0626
            13  C1b C    29.6265  -18.2058
            14  C1b C    19.9320  -16.7576
            15  N1c N    30.8412  -18.9066
            16  C1b C    18.7230  -16.0626
            17  C1b C    32.0502  -18.2117
            18  C1b C    30.8354  -20.3084
            19  C1a C    17.5199  -16.7576
            20  C1a C    33.2591  -18.9125
            21  C1a C    32.0385  -21.0209
            22  X   Cl   32.0601  -15.9134
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    6   9 2

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