| Entry |
|
|---|
| Name |
Troleandomycin (USAN/INN);
Triacetyloleandomycin (JAN);
TAO;
Tao (TN) |
|---|
| Formula |
C41H67NO15
|
|---|
| Exact mass |
813.4511
|
|---|
| Mol weight |
813.9684
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
|---|
| Target |
50S ribosomal subunit |
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
|---|
| Structure map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA08 Troleandomycin
D01322 Troleandomycin (USAN/INN)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
D01322 Troleandomycin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
D01322 Troleandomycin
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
D01322 Troleandomycin
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D01322 Troleandomycin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01322
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 57
1 C1z C 21.0419 -12.6310
2 C1x C 21.1002 -11.2073
3 O2x O 22.3239 -11.9250
4 C1x C 21.0419 -14.0309
5 C5x C 19.8302 -11.9250
6 C1y C 22.2597 -14.7193
7 C1y C 18.6242 -12.6310
8 O5x O 19.8302 -10.5367
9 C1y C 22.2597 -16.1194
10 C1a C 23.4598 -14.0251
11 C1y C 18.6242 -14.0309
12 C1a C 17.4123 -11.9250
13 C1y C 21.0419 -16.8193
14 O2a O 23.7339 -17.0293
15 C1y C 17.4123 -14.7193
16 C1y C 21.0419 -18.2136
17 C1a C 19.8302 -16.1194
18 C1y C 25.8399 -16.7900
19 C1y C 17.4123 -16.1194
20 C1a C 16.2065 -14.0251
21 O2a O 22.2597 -18.9078
22 C1y C 19.8302 -18.9078
23 C1y C 26.5164 -15.5723
24 O2x O 26.5576 -17.9842
25 O7x O 18.6242 -16.8193
26 C1a C 16.2005 -16.8253
27 C1y C 22.3456 -20.5820
28 C7x C 18.6242 -18.2136
29 C1a C 19.8302 -20.3019
30 C1y C 27.9107 -15.5487
31 O7a O 25.7869 -14.3663
32 C1y C 27.9458 -17.9606
33 C1x C 22.3456 -21.9879
34 O2x O 23.5516 -19.8878
35 O6a O 17.4123 -18.9078
36 C1x C 28.6224 -16.7429
37 N1c N 28.5871 -14.3310
38 C1y C 23.5516 -22.6762
39 C1y C 24.7576 -20.5820
40 C1a C 29.9754 -14.3774
41 C1y C 24.7576 -21.9879
42 O2a O 23.5576 -24.0704
43 C1a C 25.9635 -19.8878
44 O7a O 25.9635 -22.6762
45 C1a C 22.3516 -24.7703
46 C7a C 25.7792 -12.9563
47 C1a C 26.9940 -12.2459
48 O6a O 24.5564 -12.2594
49 O7a O 16.6995 -12.9760
50 C7a C 15.4768 -12.2723
51 O6a O 15.4749 -10.8648
52 C1a C 14.2589 -12.9775
53 C7a C 27.1790 -21.9665
54 C1a C 28.4014 -22.6641
55 O6a O 27.1720 -20.5591
56 C1a C 28.5871 -12.9310
57 C1a C 28.6749 -19.1754
BOND 60
1 7 11 1
2 7 12 1 #Up
3 9 13 1
4 9 14 1 #Down
5 11 15 1
6 13 16 1
7 13 17 1 #Down
8 18 14 1 #Up
9 15 19 1
10 15 20 1 #Down
11 16 21 1 #Down
12 16 22 1
13 18 23 1
14 18 24 1
15 19 25 1
16 19 26 1 #Down
17 27 21 1 #Down
18 22 28 1
19 22 29 1 #Up
20 23 30 1
21 23 31 1 #Down
22 24 32 1
23 27 33 1
24 27 34 1
25 28 35 2
26 30 36 1
27 30 37 1 #Up
28 33 38 1
29 34 39 1
30 37 40 1
31 38 41 1
32 38 42 1 #Up
33 39 43 1 #Up
34 41 44 1 #Down
35 42 45 1
36 2 3 1
37 25 28 1
38 32 36 1
39 39 41 1
40 31 46 1
41 1 2 1
42 46 47 1
43 1 3 1 #Up
44 46 48 2
45 1 4 1
46 11 49 1 #Up
47 1 5 1
48 49 50 1
49 4 6 1
50 50 51 2
51 5 7 1
52 50 52 1
53 5 8 2
54 44 53 1
55 6 9 1
56 53 54 1
57 6 10 1 #Down
58 53 55 2
59 37 56 1
60 32 57 1 #Up
|
|---|
