| Entry |
|
|---|
| Name |
Pralatrexate (JAN/USAN/INN);
10-Propargyl-10-deazaaminopterin;
Folotyn (TN) |
|---|
| Product |
|
|---|
| Formula |
C23H23N7O5
|
|---|
| Exact mass |
477.1761
|
|---|
| Mol weight |
477.4726
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG01930 Dihydrofolate reductase inhibitor, antineoplastic
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor, antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor, antineoplastic
|
|---|
| Remark |
| Therapeutic category: | 4229 |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Disease |
Peripheral T-cell lymphoma [DS: H01892] |
|---|
| Comment |
Pralatrexate has high affinity for reduced folate carrier 1 (RFC-1) [HSA: 6573] [KO: K14609]
Treatment of malignancies
|
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| Target |
|
|---|
| Pathway |
|
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| Interaction |
|
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| Other map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BA Folic acid analogues
L01BA05 Pralatrexate
D05589 Pralatrexate (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
422 Antimetabolites
4229 Others
D05589 Pralatrexate (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D05589 Pralatrexate (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D05589
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D05589
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D05589
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 35
1 C8y C 25.6200 -15.8200
2 C8y C 25.6200 -14.4200
3 N5x N 26.8800 -16.5200
4 C8y C 24.4300 -16.5200
5 N5x N 26.8800 -13.7200
6 N5x N 24.4300 -13.7200
7 C8y C 28.1400 -15.8200
8 N5x N 23.2400 -15.8200
9 N1a N 24.4300 -17.9200
10 C8x C 28.1400 -14.4200
11 C8y C 23.2400 -14.4200
12 C1b C 29.3300 -16.5200
13 N1a N 21.9800 -13.7200
14 C1c C 30.5200 -15.8200
15 C8y C 31.7100 -16.5200
16 C1b C 30.5200 -14.4200
17 C3b C 31.7100 -13.7200
18 C3a C 32.9700 -13.0200
19 C8x C 31.6986 -17.9200
20 C8x C 32.9053 -18.6298
21 C8y C 34.1934 -17.9397
22 C8x C 34.1348 -16.5397
23 C8x C 32.9281 -15.8299
24 C5a C 35.3757 -18.6143
25 N1b N 36.5628 -17.9207
26 O5a O 35.3830 -20.0196
27 C1c C 37.7612 -18.6045
28 C1b C 38.9401 -17.9159
29 C1b C 40.1426 -18.6022
30 C6a C 41.3194 -17.9148
31 C6a C 37.7688 -20.0195
32 O6a O 39.0085 -20.7268
33 O6a O 36.5833 -20.7125
34 O6a O 42.5228 -18.6017
35 O6a O 41.3124 -16.5201
BOND 37
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 4 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 11 13 1
13 12 14 1
14 14 15 1
15 7 10 1
16 8 11 1
17 14 16 1
18 16 17 1
19 17 18 3
20 15 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 15 23 1
26 21 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 27 31 1 #Up
34 31 32 1
35 31 33 2
36 30 34 1
37 30 35 2
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