| Entry |
|
|---|
| Name |
Phthalylsulfathiazole (INN) |
|---|
| Formula |
C17H13N3O5S2
|
|---|
| Exact mass |
403.0297
|
|---|
| Mol weight |
403.4322
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antibacterial
DG01787 Sulfonamide antibacterial
DG01784 Short-acting sulfonamide
|
|---|
| Remark |
|
|---|
| Efficacy |
Antibacterial, Folic acid biosynthesis inhibitor |
|---|
| Comment |
Sulfonamide
Active form of prodrug: Sulfathiazole [DR: D01047]
|
|---|
| Target |
dihydropteroate synthase [KO: K00796] |
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07016 | Sulfonamide derivatives - sulfa drugs |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A INTESTINAL ANTIINFECTIVES
A07AB Sulfonamides
A07AB02 Phthalylsulfathiazole
D02440 Phthalylsulfathiazole (INN)
Drug groups [BR:br08330]
Antibacterial
DG01787 Sulfonamide antibacterial
DG01784 Short-acting sulfonamide
D02440 Phthalylsulfathiazole
Antimicrobials [BR:br08307]
Antibacterials
Folic acid biosynthesis inhibitor
Short-acting sulfonamide
D02440 Phthalylsulfathiazole (INN)
Prodrugs [br08324.html]
D02440
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8y C 13.8858 -17.1670
2 C8y C 12.6246 -16.4663
3 C5a C 15.0770 -16.4663
4 C8x C 13.8858 -18.5683
5 C8x C 11.4335 -17.1670
6 C6a C 12.6246 -15.0650
7 N1b N 16.2681 -17.1670
8 O5a O 15.0770 -15.0650
9 C8x C 12.6246 -19.2690
10 C8x C 11.4335 -18.5683
11 O6a O 13.8858 -14.3643
12 C8y C 17.5293 -16.4663
13 C8x C 17.5293 -15.0650
14 C8x C 18.7204 -17.1670
15 C8x C 18.7204 -14.4344
16 C8x C 19.9115 -16.5364
17 C8y C 19.9115 -15.1351
18 S4a S 21.1727 -14.4344
19 N1b N 22.3638 -15.1351
20 O3c O 20.1217 -13.4535
21 O3c O 22.3638 -13.7337
22 C8y C 23.5550 -14.4344
23 O6a O 11.4169 -14.3543
24 S2x S 24.6854 -15.2625
25 C8x C 25.8223 -14.4431
26 C8x C 25.3945 -13.1088
27 N5x N 23.9932 -13.1033
BOND 29
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1
12 12 13 2
13 12 14 1
14 13 15 1
15 14 16 2
16 15 17 2
17 17 18 1
18 18 19 1
19 18 20 2
20 18 21 2
21 19 22 1
22 9 10 1
23 16 17 1
24 6 23 1
25 22 24 1
26 24 25 1
27 25 26 2
28 26 27 1
29 22 27 2
|
|---|
