Entry |
|
Name |
Erythromycin acistrate (USAN); Erasis (TN) |
Formula |
C39H69NO14. C18H36O2
|
Exact mass |
1059.7433
|
Mol weight |
1060.4407
|
Structure |
|
Simcomp |
|
Class |
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
Transporter inhibitor
DG01622 ABCB1 inhibitor
|
Remark |
|
Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
Comment |
Active form of prodrug: Erythromycin [DR: D00140]
|
Target |
50S ribosomal subunit |
Pathway |
|
Metabolism |
|
Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Transporter inhibition: ABCB1 [HSA: 5243]
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D10 ANTI-ACNE PREPARATIONS
D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF Antiinfectives for treatment of acne
D10AF02 Erythromycin
D02523 Erythromycin acistrate (USAN)
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA01 Erythromycin
D02523 Erythromycin acistrate (USAN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AA Antibiotics
S01AA17 Erythromycin
D02523 Erythromycin acistrate (USAN)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
DG00436 Erythromycin
D02523 Erythromycin acistrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00436 Erythromycin
D02523 Erythromycin acistrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00436 Erythromycin
D02523 Erythromycin acistrate
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG00436 Erythromycin
D02523 Erythromycin acistrate
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D02523 Erythromycin acistrate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02523
Drug transporters
D02523
Prodrugs [br08324.html]
D02523
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
DG00436 Erythromycin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00436 Erythromycin
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00436 Erythromycin
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG00436 Erythromycin
Antimicrobials abbreviations [BR:br08327]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
DG00436 Erythromycin
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 74
1 C1y C 14.7668 -16.0137
2 C1z C 14.7668 -14.6627
3 C1y C 13.5933 -16.6836
4 O2a O 16.7304 -16.7236
5 C1x C 13.5933 -13.9871
6 O1a O 15.7858 -13.6837
7 C1a C 16.0377 -15.0919
8 C1y C 13.5933 -18.0347
9 C1a C 12.6312 -15.6710
10 C1y C 13.5933 -12.6303
11 O2a O 14.3261 -19.3800
12 C1y C 12.4311 -18.7103
13 C5x C 12.4311 -11.9604
14 C1a C 14.7668 -11.9604
15 C1y C 15.4817 -21.9450
16 C7x C 11.2575 -18.0347
17 C1a C 12.4311 -20.0612
18 C1y C 11.2575 -12.6303
19 O5x O 12.4311 -10.6093
20 C1x C 15.4817 -23.2903
21 O2x O 16.6554 -21.2695
22 O7x O 11.2575 -16.6836
23 O6a O 10.2098 -18.9736
24 C1y C 11.2575 -13.9871
25 C1a C 10.0897 -11.9604
26 C1z C 16.6554 -23.9716
27 C1y C 17.8174 -21.9450
28 C1y C 10.0897 -16.0137
29 C1z C 10.0897 -14.6627
30 O1a O 12.4311 -14.6627
31 C1y C 17.8174 -23.2903
32 O2a O 16.6554 -25.2827
33 C1a C 18.0866 -24.9449
34 C1b C 8.9217 -16.6836
35 C1a C 8.8531 -15.2235
36 O1a O 8.8531 -13.9815
37 O1a O 18.9911 -23.9716
38 C1a C 17.7431 -26.2331
39 C1a C 8.9564 -17.7941
40 C1a C 19.0133 -21.2569
41 C1y C 17.7947 -15.8268
42 C1y C 18.5255 -17.0533
43 C1y C 19.9130 -17.0606
44 C1x C 20.6132 -15.8626
45 C1y C 19.9091 -14.6279
46 O2x O 18.5215 -14.6205
47 C1a C 20.6149 -13.4203
48 O7a O 17.8402 -18.2516
49 C7a C 17.7907 -19.6049
50 O6a O 16.5869 -20.2428
51 C1a C 18.9868 -20.3552
52 N1c N 20.5878 -18.2437
53 C1a C 20.5758 -19.6051
54 C1a C 21.9432 -17.8911
55 C6a C 24.8960 -23.4904
56 C1b C 26.0977 -24.1842
57 O6a O 23.6944 -24.1842
58 C1b C 27.2826 -23.4999
59 C1b C 28.4594 -24.1794
60 C1b C 29.6400 -23.4975
61 C1b C 30.8190 -24.1781
62 C1b C 31.9985 -23.4969
63 C1b C 33.1781 -24.1778
64 C1b C 34.3573 -23.4967
65 C1b C 35.5370 -24.1777
66 C1b C 36.7162 -23.4966
67 C1b C 37.8958 -24.1777
68 C1b C 39.0751 -23.4966
69 C1b C 40.2547 -24.1777
70 C1b C 41.4340 -23.4966
71 C1b C 42.6136 -24.1777
72 C1b C 43.7928 -23.4966
73 C1a C 44.9725 -24.1777
74 O6a O 24.8960 -22.1029
BOND 75
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 5 10 1
10 8 11 1 #Down
11 8 12 1
12 10 13 1
13 10 14 1 #Down
14 15 11 1 #Down
15 12 16 1
16 12 17 1 #Up
17 13 18 1
18 13 19 2
19 15 20 1
20 15 21 1
21 16 22 1
22 16 23 2
23 18 24 1
24 18 25 1 #Up
25 20 26 1
26 21 27 1
27 22 28 1
28 24 29 1
29 24 30 1 #Up
30 26 31 1
31 26 32 1 #Down
32 26 33 1
33 28 34 1 #Down
34 29 35 1 #Down
35 29 36 1 #Up
36 31 37 1 #Down
37 32 38 1
38 34 39 1
39 27 31 1
40 28 29 1
41 27 40 1 #Up
42 41 4 1 #Down
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 41 46 1
49 45 47 1 #Down
50 42 48 1 #Up
51 48 49 1
52 49 50 2
53 49 51 1
54 43 52 1 #Down
55 52 53 1
56 52 54 1
57 55 56 1
58 55 57 1
59 56 58 1
60 58 59 1
61 59 60 1
62 60 61 1
63 61 62 1
64 62 63 1
65 63 64 1
66 64 65 1
67 65 66 1
68 66 67 1
69 67 68 1
70 68 69 1
71 69 70 1
72 70 71 1
73 71 72 1
74 72 73 1
75 55 74 2
|