| Entry |
|
|---|
| Name |
Erythromycin estolate (USP);
Erythromycin estorate (JAN);
Ilosone (TN) |
|---|
| Formula |
C40H71NO14. C12H26O4S
|
|---|
| Exact mass |
1055.6426
|
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| Mol weight |
1056.3875
|
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| Structure |
|
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| Simcomp |
|
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| 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]
|
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| Target |
50S ribosomal subunit |
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Transporter inhibition: ABCB1 [HSA: 5243]
|
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| Structure map |
|
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| 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
D00851 Erythromycin estolate (USP)
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA01 Erythromycin
D00851 Erythromycin estolate (USP)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AA Antibiotics
S01AA17 Erythromycin
D00851 Erythromycin estolate (USP)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
DG00436 Erythromycin
D00851 Erythromycin estolate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00436 Erythromycin
D00851 Erythromycin estolate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00436 Erythromycin
D00851 Erythromycin estolate
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG00436 Erythromycin
D00851 Erythromycin estolate
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D00851 Erythromycin estolate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00851
Drug transporters
D00851
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
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 72
1 C1y C 8.6520 -15.8825
2 C1z C 8.6520 -14.5689
3 C1y C 7.5110 -16.5339
4 O2a O 11.1010 -16.9101
5 C1x C 7.5110 -13.9120
6 O1a O 9.6429 -13.6171
7 C1a C 9.8879 -14.9862
8 C1y C 7.5110 -17.8476
9 C1a C 6.5756 -15.5493
10 C1y C 13.0541 -16.0150
11 C1y C 7.5110 -12.5928
12 O2a O 8.2235 -19.1557
13 C1y C 6.3810 -18.5045
14 C1y C 14.1798 -16.6811
15 O2x O 13.0658 -14.7018
16 C5x C 6.3810 -11.9414
17 C1a C 8.6520 -11.9414
18 C1y C 9.6844 -19.5584
19 C7x C 5.2399 -17.8476
20 C1a C 6.3810 -19.8180
21 C1y C 15.3897 -16.0436
22 O7a O 14.2385 -18.8086
23 C1y C 14.2129 -14.0616
24 C1y C 5.2399 -12.5928
25 O5x O 6.3810 -10.6277
26 C1x C 9.6844 -20.8666
27 O2x O 10.8257 -18.9017
28 O7x O 5.2399 -16.5339
29 O6a O 4.2211 -18.7605
30 C1x C 15.4060 -14.7352
31 N1c N 16.4526 -16.7069
32 C1a C 14.2319 -12.7505
33 C1y C 5.2399 -13.9120
34 C1a C 4.1044 -11.9414
35 C1z C 10.8257 -21.5290
36 C1y C 11.9555 -19.5584
37 C1y C 4.1044 -15.8825
38 C1z C 4.1044 -14.5689
39 O1a O 6.3810 -14.5689
40 C1y C 11.9555 -20.8666
41 O2a O 10.8257 -22.8038
42 C1a C 12.2172 -22.4754
43 C1a C 13.0967 -18.9073
44 C1b C 2.9687 -16.5339
45 C1a C 2.9020 -15.1142
46 O1a O 2.9020 -13.9065
47 O1a O 13.0967 -21.5290
48 C1a C 11.8832 -23.7278
49 C1a C 3.0025 -17.6137
50 C1a C 17.6537 -16.0252
51 C7a C 15.3913 -19.4848
52 O6a O 15.3913 -20.8340
53 C1b C 16.5282 -18.8337
54 C1a C 17.6754 -19.5017
55 C1a C 16.4526 -18.0561
56 C1b C 36.4700 -17.3600
57 C1b C 35.2576 -18.0600
58 C1b C 34.0621 -17.3696
59 C1b C 32.8747 -18.0551
60 C1b C 31.6835 -17.3671
61 C1b C 30.4940 -18.0538
62 C1b C 29.3039 -17.3665
63 C1b C 28.1138 -18.0535
64 C1b C 26.9240 -17.3663
65 C1b C 25.7338 -18.0534
66 C1b C 24.5440 -17.3662
67 O2a O 23.3538 -18.0534
68 C1a C 37.6824 -18.0600
69 S4a S 21.9812 -18.0478
70 O1d O 20.5800 -18.0709
71 O1d O 21.9726 -16.6600
72 O1d O 21.9900 -19.4600
BOND 73
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 10 4 1 #Down
10 5 11 1
11 8 12 1 #Down
12 8 13 1
13 10 14 1
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 18 12 1 #Down
18 13 19 1
19 13 20 1 #Up
20 14 21 1
21 14 22 1 #Up
22 15 23 1
23 16 24 1
24 16 25 2
25 18 26 1
26 18 27 1
27 19 28 1
28 19 29 2
29 21 30 1
30 21 31 1 #Down
31 23 32 1 #Down
32 24 33 1
33 24 34 1 #Up
34 26 35 1
35 27 36 1
36 28 37 1
37 33 38 1
38 33 39 1 #Up
39 35 40 1
40 35 41 1 #Down
41 35 42 1
42 36 43 1 #Up
43 37 44 1 #Down
44 38 45 1 #Down
45 38 46 1 #Up
46 40 47 1 #Down
47 41 48 1
48 44 49 1
49 23 30 1
50 36 40 1
51 37 38 1
52 31 50 1
53 22 51 1
54 51 52 2
55 51 53 1
56 53 54 1
57 31 55 1
58 56 57 1
59 57 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 56 68 1
70 67 69 1
71 69 70 1
72 69 71 2
73 69 72 2
|
|---|
