| Entry |
|
|---|
| Name |
Posaconazole (JAN/USAN/INN);
Noxafil (TN)
|
|---|
| Product |
|
|---|
| Formula |
C37H42F2N8O4
|
|---|
| Exact mass |
700.3297
|
|---|
| Mol weight |
700.7774
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Class |
Antifungal
DG01523 Triazole antifungal
Metabolizing enzyme inhibitor
DG01522 CYP3A4 inhibitor
Transporter substrate
DG01665 ABCB1 (P-GP) substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antifungal, Ergosterol biosynthesis inhibitor |
|---|
| Disease |
Invasive Aspergillus and Candida infections [DS: H01328 H00363] |
|---|
| Target |
sterol 14alpha-demethylase [KO: K05917] |
|---|
| Pathway |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
 |
|---|
| Structure map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J02 ANTIMYCOTICS FOR SYSTEMIC USE
J02A ANTIMYCOTICS FOR SYSTEMIC USE
J02AC Triazole derivatives
J02AC04 Posaconazole
D02555 Posaconazole (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
Antifungals
Posaconazole
D02555 Posaconazole (JAN/USAN/INN)
Antiinfectives [br08350.html]
Antifungals
D02555
New drug approvals in the USA [br08319.html]
New Molecular Entity and New Therapeutic Biological Product Approvals
D02555
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D02555
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D02555
 |
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| Other DBs |
|
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| KCF data |
ATOM 51
1 C8x C 12.1804 -16.5648
2 C8x C 13.5842 -16.5648
3 C8y C 14.2861 -15.3716
4 C8x C 13.5842 -14.1082
5 C8x C 12.1804 -14.1082
6 C8y C 11.4785 -15.3716
7 N1y N 15.6900 -15.3716
8 C1x C 16.3918 -16.5648
9 C1x C 17.7956 -16.5648
10 N1y N 18.4975 -15.3716
11 C1x C 17.7956 -14.1082
12 C1x C 16.3918 -14.1082
13 C8y C 19.9014 -15.3716
14 C8x C 20.6033 -16.5648
15 C8x C 22.0070 -16.5648
16 C8y C 22.7090 -15.3716
17 C8x C 22.0070 -14.1783
18 C8x C 20.6033 -14.1783
19 O2a O 24.1128 -15.3716
20 C1b C 24.8147 -16.5648
21 C1y C 26.2185 -16.5648
22 C1x C 27.0608 -17.6878
23 C1z C 28.3945 -17.2667
24 O2x O 28.3945 -15.8630
25 C1x C 27.0608 -15.4418
26 N4y N 10.0748 -15.3888
27 C8y C 9.2274 -14.2523
28 N4y N 7.8845 -14.7071
29 N5x N 7.9021 -16.1247
30 C8x C 9.2557 -16.5461
31 C1c C 6.6606 -14.0204
32 C1c C 5.4540 -14.7372
33 O1a O 5.4715 -16.1548
34 C1b C 6.6432 -12.6299
35 C1a C 5.4099 -11.9383
36 C1a C 4.2170 -14.0432
37 O5x O 9.6469 -12.9046
38 C8y C 29.3867 -18.2590
39 C1b C 29.3867 -16.2744
40 N5x N 30.0790 -12.9852
41 C8x C 28.6752 -12.9852
42 N5x N 28.2541 -14.3188
43 N4y N 29.3771 -15.1610
44 C8x C 30.5002 -14.3188
45 C8y C 29.3867 -19.6624
46 C8x C 30.6022 -20.3641
47 C8y C 31.8175 -19.6624
48 C8x C 31.8175 -18.2590
49 C8x C 30.6022 -17.5573
50 X F 33.0290 -20.3618
51 X F 28.1626 -20.3694
BOND 57
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 19 20 1
23 21 20 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 21 25 1
29 6 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 2
34 26 30 1
35 28 31 1
36 31 32 1
37 32 33 1 #Up
38 31 34 1 #Down
39 34 35 1
40 32 36 1
41 27 37 2
42 23 38 1
43 23 39 1 #Down
44 40 41 1
45 41 42 2
46 42 43 1
47 43 44 1
48 40 44 2
49 39 43 1
50 38 45 2
51 45 46 1
52 46 47 2
53 47 48 1
54 48 49 2
55 38 49 1
56 47 50 1
57 45 51 1
|
|---|
