| Entry |
|
|---|
| Name |
Trimetrexate glucuronate (USAN);
Neutrexin (TN) |
|---|
| Formula |
C19H23N5O3. C6H10O7
|
|---|
| Exact mass |
563.2227
|
|---|
| Mol weight |
563.557
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AX Other agents against amoebiasis and other protozoal diseases
P01AX07 Trimetrexate
D06239 Trimetrexate glucuronate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
DG01013 Trimetrexate
D06239 Trimetrexate glucuronate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D06239 Trimetrexate glucuronate (USAN)
Antimicrobials [BR:br08307]
Antiparasitics
Agents against Amebiasis and other antiprotozoals
Others
D06239 Trimetrexate glucuronate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
DG01013 Trimetrexate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 C8y C 28.7155 -16.7417
2 N1b N 27.5248 -16.0412
3 C8x C 29.9763 -16.0412
4 C8x C 28.7155 -18.1425
5 C1b C 26.3341 -16.7417
6 C8y C 31.1670 -16.7417
7 C8y C 29.9763 -18.8429
8 C8y C 31.1670 -18.1425
9 O2a O 32.3577 -16.0412
10 O2a O 29.9763 -20.2437
11 O2a O 32.3577 -18.7729
12 C1a C 33.5484 -16.7417
13 C1a C 28.7856 -20.9441
14 C1a C 32.3577 -20.2437
15 C8y C 25.1434 -16.0412
16 C8x C 25.1434 -14.6404
17 C8x C 23.8827 -14.0100
18 C8y C 22.6919 -14.7105
19 C8y C 22.6919 -16.0412
20 C8y C 23.8827 -16.7417
21 N5x N 21.4312 -14.0100
22 C8y C 20.2405 -14.7105
23 N5x N 20.2405 -16.0412
24 C8y C 21.5012 -16.7417
25 C1a C 23.8827 -18.2125
26 N1a N 21.5012 -18.2125
27 N1a N 19.0498 -14.0100
28 C4a C 36.6304 -18.0012
29 C1c C 37.8211 -18.7016
30 C1c C 39.0819 -18.0012
31 C1c C 40.2726 -18.7016
32 C1c C 41.4633 -18.0012
33 C6a C 42.7240 -18.7016
34 O6a O 43.9147 -18.0012
35 O1a O 37.8211 -20.1024
36 O1a O 39.0819 -16.6004
37 O1a O 40.2726 -20.1024
38 O1a O 41.4633 -16.6004
39 O6a O 42.7240 -20.1024
40 O4a O 35.4397 -18.7016
BOND 41
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 6 8 1
8 6 9 1
9 7 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 7 8 2
15 5 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 18 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 20 25 1
28 24 26 1
29 22 27 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 29 35 1 #Up
37 30 36 1 #Up
38 31 37 1 #Up
39 32 38 1 #Down
40 33 39 2
41 28 40 2
|
|---|
