KEGG   DRUG: Ravuconazole (prop.INN)
Entry
D02556                      Drug                                   
Name
Ravuconazole (prop.INN)
Formula
C22H17F2N5OS
Exact mass
437.1122
Mol weight
437.4651
Structure
Simcomp
Class
Antifungal
 DG01523  Triazole antifungal
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Chemical structure group: DG02844
Product (DG02844): D10762<JP>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Triazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Structure map
map07026  Antifungal agents
Brite
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   DG02844  Ravuconazole
    D02556  Ravuconazole (prop.INN)
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG02844  Ravuconazole
    D02556  Ravuconazole (prop.INN)
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D02556  Ravuconazole (prop.INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02556
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   DG02844  Ravuconazole
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG02844  Ravuconazole
Antimicrobials abbreviations [BR:br08327]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    DG02844  Ravuconazole
Other DBs
CAS: 182760-06-1
PubChem: 17396727
ChEBI: 143825
LigandBox: D02556
LinkDB
KCF data

ATOM        31
            1   C8y C    33.7417  -16.4663
            2   C1c C    34.9355  -15.7641
            3   C1d C    36.1995  -16.4663
            4   C1a C    34.9355  -14.3597
            5   S2x S    33.3204  -17.8005
            6   C8x C    31.9159  -17.8005
            7   C8y C    31.4946  -16.4663
            8   N5x N    32.6181  -15.6237
            9   C8x C    27.8430  -15.7641
            10  C8y C    27.8430  -14.3597
            11  C8x C    29.0368  -13.6575
            12  C8x C    30.3008  -14.3597
            13  C8y C    30.3008  -15.7641
            14  C8x C    29.0368  -16.4663
            15  C3b C    26.6493  -13.6575
            16  N3a N    25.4555  -12.9552
            17  C8y C    36.1995  -17.8708
            18  C1b C    37.3932  -15.7641
            19  N4y N    37.3932  -14.3597
            20  N5x N    36.2697  -13.5872
            21  C8x C    36.6910  -12.2530
            22  N5x N    38.0954  -12.2530
            23  C8x C    38.5168  -13.5170
            24  C8y C    37.4634  -18.5730
            25  C8x C    37.4634  -19.9774
            26  C8y C    36.2697  -20.6796
            27  C8x C    35.0057  -19.9774
            28  C8x C    35.0057  -18.5730
            29  X   F    36.2697  -22.0841
            30  X   F    38.6572  -17.8005
            31  O1a O    37.4634  -16.8877
BOND        34
            1     1   2 1
            2     2   3 1
            3     2   4 1 #Down
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   1 2
            8     5   1 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   13   7 1
            16   10  15 1
            17   15  16 3
            18    3  17 1
            19    3  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   19  23 1
            26   17  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   17  28 1
            32   26  29 1
            33   24  30 1
            34    3  31 1 #Up

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