| Entry |
|
|---|
| Name |
Pemetrexed (INN);
Alimta (TN);
Pemetrexed (TN);
Pemfexy (TN) |
|---|
| Product |
|
|---|
| Formula |
C20H21N5O6
|
|---|
| Exact mass |
427.1492
|
|---|
| Mol weight |
427.41
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00682): | D07472<US> D03828<US> D06503<JP/US> D10596<JP/US> D11352<US> |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
|
|---|
| Other map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BA Folic acid analogues
L01BA04 Pemetrexed
D07472 Pemetrexed (INN) <US>
USP drug classification [BR:br08302]
Antineoplastics
Antimetabolites
Pemetrexed
D07472 Pemetrexed (INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
D07472 Pemetrexed
Drug classes [BR:br08332]
Antineoplastic
DG02018 Antimetabolite
D07472 Pemetrexed
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D07472 Pemetrexed (INN) <US>
Transferases (EC2)
Methyltransferases
TYMS
D07472 Pemetrexed (INN) <US>
Ligases (EC6)
GART
GART
D07472 Pemetrexed (INN) <US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D07472
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 17.7324 -16.7384
2 C8y C 17.7324 -15.4027
3 C8x C 18.9274 -14.6294
4 C8x C 20.1928 -15.4027
5 C8y C 20.1928 -16.7384
6 C8x C 18.9274 -17.4414
7 C1b C 16.5373 -14.6294
8 C1b C 15.2719 -15.4027
9 C8y C 14.0759 -14.6335
10 C8y C 12.7452 -14.1964
11 C8y C 12.7166 -12.7908
12 N4x N 14.0581 -12.3698
13 C8x C 14.8965 -13.4918
14 C8y C 11.5218 -14.9118
15 N5x N 10.3804 -14.0908
16 C8y C 10.3259 -12.7676
17 N4x N 11.5339 -12.0273
18 N1a N 9.2131 -12.0040
19 C5a C 21.3878 -17.4414
20 N1b N 22.6533 -16.7384
21 C1c C 23.8483 -17.4414
22 C1b C 25.0434 -16.7384
23 C1b C 26.3087 -17.4414
24 C6a C 27.5039 -16.7384
25 O6a O 28.6989 -17.4414
26 O5a O 21.3878 -18.8474
27 C6a C 23.8483 -18.8474
28 O6a O 25.0434 -19.5503
29 O6a O 22.6533 -19.5503
30 O6a O 27.5039 -15.4027
31 O5x O 11.5343 -16.2194
BOND 33
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 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 9 13 2
15 10 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 11 17 1
20 16 18 1
21 5 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 19 26 2
29 21 27 1 #Up
30 27 28 1
31 27 29 2
32 24 30 2
33 14 31 2
|
|---|
