KEGG   DRUG: Doxapram
Entry
D07873                      Drug                                   
Name
Doxapram (INN);
Docatone (TN)
Formula
C24H30N2O2
Exact mass
378.2307
Mol weight
378.5072
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
ATC code: R07AB01
Chemical structure group: DG01119
Product (DG01119): D01872<JP/US>
Efficacy
Respiratory stimulant
Comment
Doxapram stimulates carotid body.
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R07 OTHER RESPIRATORY SYSTEM PRODUCTS
   R07A OTHER RESPIRATORY SYSTEM PRODUCTS
    R07AB Respiratory stimulants
     R07AB01 Doxapram
      D07873  Doxapram (INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01119  Doxapram
     D07873  Doxapram
  DG02925  CYP3A5 substrate
   DG01119  Doxapram
    D07873  Doxapram
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07873
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01119  Doxapram
  DG02925  CYP3A5 substrate
   DG01119  Doxapram
Other DBs
CAS: 309-29-5
PubChem: 96024569
ChEBI: 681848
LigandBox: D07873
NIKKAJI: J5.501H
KCF data

ATOM        28
            1   C8x C    17.7800  -18.9000
            2   C8x C    17.7800  -20.3000
            3   C8x C    18.9700  -21.0000
            4   C8x C    20.2300  -20.3000
            5   C8y C    20.2300  -18.9000
            6   C8x C    18.9700  -18.2000
            7   C8x C    22.6100  -20.3000
            8   C8y C    22.6100  -18.9000
            9   C1z C    21.4200  -18.2000
            10  C8x C    23.8000  -21.0000
            11  C8x C    25.0600  -20.3000
            12  C8x C    25.0600  -18.9000
            13  C8x C    23.8000  -18.2000
            14  C1y C    22.5400  -17.3600
            15  C1x C    22.1200  -16.0300
            16  N1y N    20.7200  -16.0300
            17  C5x C    20.3000  -17.3600
            18  C1b C    19.9500  -14.8400
            19  C1a C    18.5500  -14.8400
            20  O5x O    18.9000  -17.3600
            21  C1b C    23.9400  -17.3600
            22  C1b C    24.6400  -16.1700
            23  N1y N    26.0400  -16.1700
            24  C1x C    26.7400  -17.3600
            25  C1x C    28.1400  -17.3600
            26  O2x O    28.8400  -16.1700
            27  C1x C    28.1400  -14.9800
            28  C1x C    26.7400  -14.9800
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    9  17 1
            20   16  18 1
            21   18  19 1
            22   17  20 2
            23   14  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1

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