KEGG   DRUG: BenzylpenicillinHelp
Entry
D02336                      Drug                                   

Name
Benzylpenicillin (INN);
Penicillin G;
PCG
Formula
C16H18N2O4S
Exact mass
334.0987
Mol weight
334.3901
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Penicillium chrysogenum [TAX:5076]
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Transporter substrate
 DG02860  SLC22A8 (OAT3) substrate
Remark
Same as: C05551
ATC code: J01CE01 S01AA14
Chemical structure group: DG00534
Product (DG00534): D01053<JP/US> D02157<JP/US> D02461<US> D05408<US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Metabolism
Transporter: SLC22A8 [HSA:9376]
Interaction
Drug interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE01 Benzylpenicillin
      D02336  Benzylpenicillin (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA14 Benzylpenicillin
      D02336  Benzylpenicillin (INN)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin G
    D02336  Benzylpenicillin (INN)
Prodrugs [br08324.html]
 D02336
BRITE hierarchy
Other DBs
CAS: 61-33-6
PubChem: 7849395
ChEBI: 18208
ChEMBL: CHEMBL29
DrugBank: DB01053
PDB-CCD: PNN[PDBj]
LigandBox: D02336
NIKKAJI: J2.342F
KCF data Show

ATOM        23
            1   C1y C    15.5849  -20.3259
            2   C5x C    15.5849  -21.7303
            3   N1y N    16.9893  -21.7303
            4   C1y C    16.9893  -20.3259
            5   C1y C    18.3234  -22.1515
            6   C1z C    19.1659  -21.0280
            7   S2x S    18.3234  -19.9045
            8   C1a C    20.1491  -22.0111
            9   C1a C    20.1491  -20.0449
            10  C6a C    18.8149  -23.4856
            11  O6a O    20.2192  -23.4856
            12  O6a O    17.9722  -24.6090
            13  N1b N    14.3912  -19.6237
            14  C5a C    13.1975  -20.3259
            15  O5x O    14.3912  -22.4324
            16  O5a O    13.1975  -21.7303
            17  C1b C    11.9784  -19.6286
            18  C8y C    10.7864  -20.3236
            19  C8x C     9.5732  -19.6232
            20  C8x C     8.3601  -20.3236
            21  C8x C     8.3601  -21.7244
            22  C8x C     9.5732  -22.4248
            23  C8x C    10.7864  -21.7244
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1

» Japanese version   » Back

KEGG   DRUG: Penicillin G potassiumHelp
Entry
D01053                      Drug                                   

Name
Penicillin G potassium (USP);
Benzylpenicillin potassium (JP17);
Pfizerpen (TN)
Product
  Generic
Formula
C16H17N2O4S. K
Exact mass
372.0546
Mol weight
372.4805
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Transporter substrate
 DG02860  SLC22A8 (OAT3) substrate
Remark
Therapeutic category: 6111
ATC code: J01CE01 S01AA14
Chemical structure group: DG00534
Product (DG00534): D01053<JP/US> D02157<JP/US> D02461<US> D05408<US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
  Disease
Pneumonia due to Streptococcus pneumoniae [DS:H01321]
Endocarditis [DS:H00334]
Anthrax [DS:H00328]
Actinomycosis [DS:H01325]
Botulism [DS:H00339]
Gas gangrene [DS:H00336]
Tetanus [DS:H00337]
Diphtheria [DS:H00343]
Listeria infections [DS:H00332]
Pasteurella infections [DS:H00306]
Haverhill fever [DS:H01314]
Rat bite fever [DS:H01314]
Gonococcal infections [DS:H00315]
Syphilis [DS:H00354]
Meningococcal meningitis [DS:H00314]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Metabolism
Transporter: SLC22A8 [HSA:9376]
Interaction
Drug interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE01 Benzylpenicillin
      D01053  Penicillin G potassium (USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA14 Benzylpenicillin
      D01053  Penicillin G potassium (USP) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin G
    D01053  Penicillin G potassium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   611  Acting mainly on gram-positive bacteria
    6111  Penicillins
     D01053  Penicillin G potassium (USP); Benzylpenicillin potassium (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01053  Benzylpenicillin potassium
  D01053  Benzylpenicillin potassium for injection
Antiinfectives [br08350.html]
 Antibacterials
  D01053
BRITE hierarchy
Other DBs
CAS: 113-98-4
PubChem: 7848116
ChEBI: 7963
ChEMBL: CHEMBL1223
DrugBank: DB01053
LigandBox: D01053
NIKKAJI: J9.869H
KCF data Show

ATOM        24
            1   C1y C    28.4000  -14.5226
            2   C5x C    28.4000  -15.9274
            3   N1y N    29.8049  -15.9274
            4   C1y C    29.8049  -14.5226
            5   C1y C    31.1394  -16.3488
            6   C1z C    31.9822  -15.2249
            7   S2x S    31.1394  -14.1010
            8   C1a C    32.9657  -16.2083
            9   C1a C    32.9657  -14.2415
            10  C6a C    31.6311  -17.6833
            11  O6a O    33.0358  -17.6833 #-
            12  O6a O    30.7881  -18.8071
            13  N1b N    27.2059  -13.8201
            14  C5a C    26.0118  -14.5226
            15  O5x O    27.2059  -16.6297
            16  O5a O    26.0118  -15.9274
            17  C1b C    24.7923  -13.8250
            18  C8y C    23.5999  -14.5203
            19  C8x C    22.3863  -13.8196
            20  C8x C    21.1728  -14.5203
            21  C8x C    21.1728  -15.9215
            22  C8x C    22.3863  -16.6221
            23  C8x C    23.5999  -15.9215
            24  Z   K    34.5100  -17.7100 #+
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1

» Japanese version   » Back

KEGG   DRUG: Penicillin G sodiumHelp
Entry
D05408                      Drug                                   

Name
Penicillin G sodium (USP);
Benzylpenicillin sodium;
Penicillin G sodium (TN)
Product
  Generic
Formula
C16H17N2O4S. Na
Exact mass
356.0807
Mol weight
356.3719
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Transporter substrate
 DG02860  SLC22A8 (OAT3) substrate
Remark
ATC code: J01CE01 S01AA14
Chemical structure group: DG00534
Product (DG00534): D01053<JP/US> D02157<JP/US> D02461<US> D05408<US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
  Disease
Bacterial endocarditis [DS:H00334]
Anthrax [DS:H00328]
Actinomycosis [DS:H01325]
Botulism [DS:H00339]
Gas gangrene [DS:H00336]
Tetanus [DS:H00337]
Diphtheria [DS:H00343]
Listeria infections [DS:H00332]
Pasteurella infections [DS:H00306]
Haverhill fever [DS:H01314]
Rat-bite fever [DS:H01314]
Syphilis [DS:H00354]
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Metabolism
Transporter: SLC22A8 [HSA:9376]
Interaction
Drug interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE01 Benzylpenicillin
      D05408  Penicillin G sodium (USP) <US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA14 Benzylpenicillin
      D05408  Penicillin G sodium (USP) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin G
    D05408  Penicillin G sodium (USP)
BRITE hierarchy
Other DBs
CAS: 69-57-8
PubChem: 47207083
ChEMBL: CHEMBL1126
LigandBox: D05408
NIKKAJI: J4.869K
KCF data Show

ATOM        24
            1   C1y C    28.0500  -18.4426
            2   C5x C    28.0500  -19.8474
            3   N1y N    29.4549  -19.8474
            4   C1y C    29.4549  -18.4426
            5   C1y C    30.7894  -20.2688
            6   C1z C    31.6322  -19.1449
            7   S2x S    30.7894  -18.0210
            8   C1a C    32.6157  -20.1283
            9   C1a C    32.6157  -18.1615
            10  C6a C    31.2811  -21.6033
            11  O6a O    32.6858  -21.6033 #-
            12  O6a O    30.4381  -22.7271
            13  N1b N    26.8559  -17.7401
            14  C5a C    25.6618  -18.4426
            15  O5x O    26.8559  -20.5497
            16  O5a O    25.6618  -19.8474
            17  C1b C    24.4423  -17.7450
            18  C8y C    23.2499  -18.4403
            19  C8x C    22.0363  -17.7396
            20  C8x C    20.8228  -18.4403
            21  C8x C    20.8228  -19.8415
            22  C8x C    22.0363  -20.5421
            23  C8x C    23.2499  -19.8415
            24  Z   Na   34.1600  -21.6300 #+
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1

» Japanese version   » Back

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