| Entry |
|
|---|
| Name |
Trimethoprim sulfate (USP) |
|---|
| Formula |
(C14H18N4O3)2. H2SO4
|
|---|
| Exact mass |
678.2432
|
|---|
| Mol weight |
678.7139
|
|---|
| Structure |
|
|---|
| Class |
Antibacterial
DG01581 Trimethoprim antibacterial
Metabolizing enzyme inhibitor
DG01641 CYP2C8 inhibitor
|
|---|
| Remark |
| Product (DG00595): | D00145<US> |
| Product (mixture): | D11086<US> |
|
|---|
| Efficacy |
Antibacterial, Folic acid biosynthesis inhibitor |
|---|
| Target |
dihydrofolate reductase [KO: K13938] |
|---|
| Pathway |
|
|---|
| Interaction |
CYP inhibition: CYP2C8 [HSA: 1558]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01E SULFONAMIDES AND TRIMETHOPRIM
J01EA Trimethoprim and derivatives
J01EA01 Trimethoprim
D06236 Trimethoprim sulfate (USP)
Drug groups [BR:br08330]
Antibacterial
DG01581 Trimethoprim antibacterial
DG00595 Trimethoprim
D06236 Trimethoprim sulfate
Metabolizing enzyme inhibitor
DG01641 CYP2C8 inhibitor
DG00595 Trimethoprim
D06236 Trimethoprim sulfate
Antimicrobials [BR:br08307]
Antibacterials
Folic acid biosynthesis inhibitor
Trimethoprim
D06236 Trimethoprim sulfate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D06236
Drug groups [BR:br08330]
Antibacterial
DG01581 Trimethoprim antibacterial
DG00595 Trimethoprim
Metabolizing enzyme inhibitor
DG01641 CYP2C8 inhibitor
DG00595 Trimethoprim
Antimicrobials abbreviations [BR:br08327]
Antibacterials
Folic acid biosynthesis inhibitor
Trimethoprim
DG00595 Trimethoprim
|
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| Other DBs |
|
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| KCF data |
ATOM 47
1 C8y C 12.8840 -15.2354
2 C1b C 14.0934 -15.9267
3 C8x C 11.6680 -15.9457
4 C8x C 12.8840 -13.8275
5 C8y C 15.2902 -15.2290
6 C8y C 10.4587 -15.2354
7 C8y C 11.6680 -13.1302
8 C8y C 16.4996 -15.9392
9 C8x C 15.2902 -13.8212
10 C8y C 10.4587 -13.8275
11 O2a O 9.2492 -15.9267
12 O2a O 11.6618 -11.7414
13 N5x N 17.7218 -15.2290
14 N1a N 16.4931 -17.3279
15 N5x N 16.4996 -13.1237
16 O2a O 9.2555 -13.2001
17 C1a C 8.0526 -15.2225
18 C1a C 12.8648 -11.0375
19 C8y C 17.7218 -13.8212
20 C1a C 9.2555 -11.7414
21 N1a N 18.9250 -13.1174
22 S4a S 24.1920 -13.6900
23 O1d O 24.1920 -12.2900
24 O1d O 24.1920 -15.0900
25 O1d O 22.7919 -13.6900
26 O1d O 25.5919 -13.6900
27 C8y C 12.8840 -15.2354
28 C1b C 14.0934 -15.9267
29 C8y C 15.2902 -15.2290
30 C8y C 16.4996 -15.9392
31 N5x N 17.7218 -15.2290
32 C8y C 17.7218 -13.8212
33 N1a N 18.9250 -13.1174
34 N5x N 16.4996 -13.1237
35 C8x C 15.2902 -13.8212
36 N1a N 16.4931 -17.3279
37 C8x C 11.6680 -15.9457
38 C8y C 10.4587 -15.2354
39 C8y C 10.4587 -13.8275
40 O2a O 9.2555 -13.2001
41 C1a C 9.2555 -11.7414
42 C8y C 11.6680 -13.1302
43 C8x C 12.8840 -13.8275
44 O2a O 11.6618 -11.7414
45 C1a C 12.8648 -11.0375
46 O2a O 9.2492 -15.9267
47 C1a C 8.0526 -15.2225
BOND 48
1 22 23 2
2 22 24 2
3 22 25 1
4 22 26 1
5 1 2 1
6 1 3 1
7 1 4 2
8 2 5 1
9 3 6 2
10 4 7 1
11 5 8 2
12 5 9 1
13 6 10 1
14 6 11 1
15 7 12 1
16 8 13 1
17 8 14 1
18 9 15 2
19 10 16 1
20 11 17 1
21 12 18 1
22 13 19 2
23 16 20 1
24 19 21 1
25 7 10 2
26 15 19 1
27 27 28 1
28 27 37 1
29 27 43 2
30 28 29 1
31 37 38 2
32 43 42 1
33 29 30 2
34 29 35 1
35 38 39 1
36 38 46 1
37 42 44 1
38 30 31 1
39 30 36 1
40 35 34 2
41 39 40 1
42 46 47 1
43 44 45 1
44 31 32 2
45 40 41 1
46 32 33 1
47 42 39 2
48 34 32 1
BRACKET 1 6.1600 -18.2700 6.1600 -9.9400
1 20.6500 -9.9400 20.6500 -18.2700
1 2
ORIGINAL 1 1 2 5 8 13 19 21 15 9 14 3 6 10 16 20 7
1 4 12 18 11 17
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42
1 43 44 45 46 47
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