Entry
Name
Ibrexafungerp citrate (USAN); Brexafemme (TN)
Product
Formula
C44H67N5O4. C6H8O7
Exact mass
921.5463
Mol weight
922.1574
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Product (DG03047): D11545<US>
Efficacy
Antifungal, Cell wall biosynthesis inhibitor
Disease
Vulvovaginal candidiasis [DS:
H00363 ]
Comment
Treatment of invasive fungal infections due to Candida spp. or Aspergillus spp.
Target
beta-1,3-glucan synthase [KO:
K00706 ]
Pathway
ko00500 Starch and sucrose metabolism
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
J ANTIINFECTIVES FOR SYSTEMIC USE
J02 ANTIMYCOTICS FOR SYSTEMIC USE
J02A ANTIMYCOTICS FOR SYSTEMIC USE
J02AX Other antimycotics for systemic use
J02AX07 Ibrexafungerp
D11545 Ibrexafungerp citrate (USAN) <US>
USP drug classification [BR:br08302 ]
Antifungals
Ibrexafungerp
D11545 Ibrexafungerp citrate (USAN)
New drug approvals in the USA [br08319.html ]
New molecular entities and new therapeutic biological products
D11545
New drug approvals in the USA, Europe and Japan [br08328.html ]
Approval dates by FDA, EMA and PMDA
D11545
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 66
1 C2x C 19.6985 -15.4376
2 C2y C 19.6985 -16.7648
3 C1y C 20.8161 -17.4634
4 C1z C 22.0735 -16.7648
5 C1z C 22.0735 -15.4376
6 C1x C 20.8161 -14.7391
7 C1x C 23.1911 -17.4634
8 C1x C 24.3088 -16.7648
9 C1z C 24.3088 -15.4376
10 C1y C 23.1911 -14.7391
11 C1c C 25.4264 -14.7391
12 C1c C 26.6139 -15.4376
13 C1a C 27.7316 -14.7391
14 C1a C 26.6139 -16.7648
15 C1z C 18.5808 -17.4634
16 C1y C 18.5808 -18.7906
17 C1x C 19.6985 -19.4192
18 C1x C 20.8161 -18.7906
19 C1x C 17.3934 -16.7648
20 O2x O 16.2059 -17.4634
21 C1x C 16.2059 -18.7906
22 C1z C 17.3934 -19.4192
23 C1a C 25.4264 -13.4119
24 C1a C 24.3088 -14.1104
25 C6a C 23.1911 -13.0626
26 C1a C 22.0735 -14.1104
27 C1a C 22.0735 -18.0920
28 C1a C 17.3934 -20.7464
29 C1x C 17.0441 -15.7869
30 C1y C 15.0882 -16.6950
31 C1y C 15.2279 -19.0700
32 C1b C 12.9926 -19.0700
33 O2a O 14.1103 -19.6986
34 C1d C 11.8051 -19.6986
35 C1d C 10.6875 -19.0700
36 C1a C 11.1765 -20.8163
37 N1a N 12.5037 -20.8163
38 C1a C 9.5698 -19.6986
39 C1a C 10.6875 -17.6729
40 C1a C 9.5000 -18.3714
41 N4y N 13.9706 -16.0663
42 C8y C 13.8309 -14.6692
43 N5x N 12.5037 -14.4597
44 C8x C 11.8051 -15.5773
45 N5x N 12.7132 -16.5553
46 C8y C 14.8088 -13.7612
47 C8x C 16.1360 -14.2501
48 C8x C 17.1139 -13.2722
49 N5x N 16.8345 -12.0148
50 C8x C 15.5073 -11.5957
51 C8x C 14.5992 -12.5038
52 O6a O 22.0036 -12.3641
53 O6a O 24.3088 -12.3641
54 C1d C 32.3536 -18.1182
55 C1b C 31.2246 -18.8238
56 C1b C 33.5532 -18.8238
57 C6a C 33.0592 -16.9891
58 O1a O 31.6479 -16.9891
59 C6a C 30.0250 -18.1887
60 C6a C 33.5532 -20.2351
61 O6a O 32.3536 -15.7895
62 O6a O 34.5411 -16.9891
63 O6a O 28.7548 -18.8944
64 O6a O 30.0250 -16.8480
65 O6a O 34.8939 -21.0113
66 O6a O 32.3536 -21.0113
BOND 71
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 12 14 1
16 2 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 3 18 1
21 19 20 1
22 20 21 1
23 22 21 1 #Up
24 16 22 1
25 11 23 1 #Down
26 9 24 1 #Down
27 10 25 1 #Down
28 5 26 1 #Down
29 4 27 1 #Up
30 22 28 1
31 15 19 1 #Up
32 15 29 1
33 29 30 1
34 22 31 1
35 31 30 1
36 32 33 1
37 31 33 1 #Up
38 32 34 1
39 34 35 1
40 34 36 1 #Up
41 34 37 1 #Down
42 35 38 1
43 35 39 1
44 35 40 1
45 30 41 1 #Down
46 41 42 1
47 42 43 2
48 43 44 1
49 44 45 2
50 41 45 1
51 42 46 1
52 46 47 2
53 47 48 1
54 48 49 2
55 49 50 1
56 50 51 2
57 46 51 1
58 25 52 2
59 25 53 1
60 54 55 1
61 54 56 1
62 54 57 1
63 54 58 1
64 55 59 1
65 56 60 1
66 57 61 1
67 57 62 2
68 59 63 1
69 59 64 2
70 60 65 1
71 60 66 2