KEGG   DRUG: Ravuconazole (prop.INN)Help
Entry
D02556                      Drug                                   

Name
Ravuconazole (prop.INN)
Formula
C22H17F2N5OS
Exact mass
437.1122
Mol weight
437.4651
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01523  Triazole antifungal
Metabolizing enzyme inhibitor
 DG02852  CYP3A 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]
Drug interaction
Structure map
map07026  Antifungal agents
Other DBs
CAS: 182760-06-1
PubChem: 17396727
ChEMBL: CHEMBL294029
LigandBox: D02556
KCF data Show

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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