| Entry |
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| Name |
Erythromycin salnacedin (USAN);
Erythromycin salnacedin dihydrate |
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| Formula |
C37H67NO13. C12H13NO5S. 2H2O
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| Exact mass |
1052.5338
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| Mol weight |
1053.2577
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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
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| Remark |
|
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| Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
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| Target |
50S ribosomal subunit |
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| Pathway |
|
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| Metabolism |
|
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| 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
D04054 Erythromycin salnacedin (USAN)
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA01 Erythromycin
D04054 Erythromycin salnacedin (USAN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AA Antibiotics
S01AA17 Erythromycin
D04054 Erythromycin salnacedin (USAN)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
DG00436 Erythromycin
D04054 Erythromycin salnacedin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00436 Erythromycin
D04054 Erythromycin salnacedin
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00436 Erythromycin
D04054 Erythromycin salnacedin
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG00436 Erythromycin
D04054 Erythromycin salnacedin
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D04054 Erythromycin salnacedin (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04054
Drug transporters
D04054
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 |
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| KCF data |
ATOM 72
1 C8x C 31.3154 -18.2114
2 C8x C 31.3154 -19.6133
3 C8x C 32.5294 -20.3142
4 C8x C 33.7436 -19.6133
5 C8y C 33.7436 -18.2114
6 C8y C 32.5294 -17.5104
7 O1a O 32.5294 -16.1087
8 C5a C 34.9764 -17.4994
9 S2a S 36.1832 -18.1960
10 O5a O 34.9761 -16.1086
11 C1b C 37.3671 -17.5123
12 C1c C 38.5628 -18.2025
13 C6a C 39.7523 -17.5156
14 O6a O 40.9450 -18.2042
15 O6a O 39.7524 -16.1087
16 N1b N 38.5630 -19.6130
17 C5a C 39.7563 -20.3020
18 O5a O 40.9430 -19.6168
19 C1a C 39.7566 -21.7158
20 O0 O 38.1829 -13.4604
21 C1y C 23.6603 -13.2465
22 C1z C 23.6603 -11.8833
23 C1y C 22.4762 -13.9224
24 O2a O 25.6415 -13.9628
25 C1x C 22.4762 -11.2017
26 O1a O 24.6884 -10.8956
27 C1a C 24.9426 -12.3164
28 C1y C 22.4762 -15.2856
29 C1a C 21.5055 -12.9007
30 C1y C 27.2193 -13.2480
31 C1y C 22.4762 -9.8327
32 O2a O 23.2156 -16.6430
33 C1y C 21.3036 -15.9673
34 C1y C 28.3874 -13.9392
35 O2x O 27.2313 -11.8853
36 C5x C 21.3036 -9.1568
37 C1a C 23.6603 -9.1568
38 C1y C 24.7316 -17.0609
39 C7x C 20.1195 -15.2856
40 C1a C 21.3036 -17.3303
41 C1y C 29.5729 -13.2776
42 O1a O 28.3783 -15.3069
43 C1y C 28.4217 -11.2210
44 C1y C 20.1195 -9.8327
45 O5x O 21.3036 -7.7936
46 C1x C 24.7316 -18.4184
47 O2x O 25.9158 -16.3794
48 O7x O 20.1195 -13.9224
49 O6a O 19.0624 -16.2329
50 C1x C 29.5173 -11.9200
51 N1c N 30.7458 -13.9660
52 C1a C 28.4414 -9.8605
53 C1y C 20.1195 -11.2017
54 C1a C 18.9412 -9.1568
55 C1z C 25.9158 -19.1058
56 C1y C 27.0882 -17.0609
57 C1y C 18.9412 -13.2465
58 C1z C 18.9412 -11.8833
59 O1a O 21.3036 -11.8833
60 C1y C 27.0882 -18.4184
61 O2a O 25.9158 -20.4286
62 C1a C 27.3598 -20.0878
63 C1a C 28.2724 -16.3852
64 C1b C 17.7627 -13.9224
65 C1a C 17.6935 -12.4492
66 O1a O 17.6935 -11.1960
67 O1a O 28.2724 -19.1058
68 C1a C 27.0132 -21.3875
69 C1a C 17.7977 -15.0429
70 C1a C 31.9921 -13.2585
71 C1a C 30.7364 -15.3277
72 O0 O 38.1829 -13.4604
BOND 72
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 5 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 13 15 2
16 12 16 1 #Up
17 16 17 1
18 17 18 2
19 17 19 1
20 21 22 1
21 21 23 1
22 21 24 1 #Down
23 22 25 1
24 22 26 1 #Up
25 22 27 1 #Down
26 23 28 1
27 23 29 1 #Down
28 30 24 1 #Down
29 25 31 1
30 28 32 1 #Down
31 28 33 1
32 30 34 1
33 30 35 1
34 31 36 1
35 31 37 1 #Down
36 38 32 1 #Down
37 33 39 1
38 33 40 1 #Up
39 34 41 1
40 34 42 1 #Up
41 35 43 1
42 36 44 1
43 36 45 2
44 38 46 1
45 38 47 1
46 39 48 1
47 39 49 2
48 41 50 1
49 41 51 1 #Down
50 43 52 1 #Down
51 44 53 1
52 44 54 1 #Up
53 46 55 1
54 47 56 1
55 48 57 1
56 53 58 1
57 53 59 1 #Up
58 55 60 1
59 55 61 1 #Down
60 55 62 1
61 56 63 1 #Up
62 57 64 1 #Down
63 58 65 1 #Down
64 58 66 1 #Up
65 60 67 1 #Down
66 61 68 1
67 64 69 1
68 43 50 1
69 56 60 1
70 57 58 1
71 51 70 1
72 51 71 1
BRACKET 1 35.8400 -14.3500 35.8400 -12.5300
1 38.9900 -12.5300 38.9900 -14.3500
1 2
ORIGINAL 1 20
REPEAT 1 72
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