KEGG   DRUG: AtovaquoneHelp
Entry
D00236                      Drug                                   

Name
Atovaquone (JAN/USP/INN);
Mepron (TN)
Product
  Generic
Formula
C22H19ClO3
Exact mass
366.1023
Mol weight
366.8375
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C06835
Therapeutic category: 6290
ATC code: P01AX06
Product: D00236<JP/US>
Product (mixture): D02472<JP/US>
Efficacy
Antifungal (pneumocystic)
  Disease
Pneumocystis jiroveci pneumonia [DS:H01521]
Comment
Naphthoquinone derivative
Target
Cytochrome b [KO:K00412]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX06 Atovaquone
      D00236  Atovaquone (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Atovaquone
    D00236  Atovaquone (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00236  Atovaquone (JAN/USP/INN)
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00236
BRITE hierarchy
Other DBs
CAS: 95233-18-4
PubChem: 7847303
ChEBI: 575568
ChEMBL: CHEMBL1450
DrugBank: DB01117
PDB-CCD: AOQ[PDBj]
LigandBox: D00236
NIKKAJI: J389.528I
LinkDB All DBs
KCF data Show

ATOM        26
            1   C2y C    29.8456  -16.7257
            2   C1y C    31.0510  -17.4304
            3   C5x C    28.6285  -17.4245
            4   C2y C    29.8513  -15.3223
            5   C1x C    31.0510  -18.8338
            6   C1x C    32.2681  -16.7257
            7   C8y C    27.4173  -16.7141
            8   O5x O    28.6226  -18.8221
            9   C5x C    28.6402  -14.6235
            10  O1a O    31.0627  -14.6293
            11  C1x C    32.2681  -19.5267
            12  C1x C    33.4736  -17.4304
            13  C8y C    27.4231  -15.3107
            14  C8x C    26.2176  -17.4188
            15  O5x O    28.6459  -13.2202
            16  C1y C    33.4736  -18.8338
            17  C8x C    26.2176  -14.6176
            18  C8x C    25.0005  -16.7141
            19  C8y C    34.6907  -19.5267
            20  C8x C    25.0005  -15.3107
            21  C8x C    34.6907  -20.9302
            22  C8x C    35.9076  -18.8338
            23  C8x C    35.9076  -21.6348
            24  C8x C    37.1130  -19.5267
            25  C8y C    37.1130  -20.9302
            26  X   Cl   38.3300  -21.6290
BOND        29
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    9  15 2
            15   11  16 1
            16   13  17 2
            17   14  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   25  26 1
            26    9  13 1
            27   12  16 1
            28   18  20 2
            29   24  25 1

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