| Entry |
|
|---|
| Name |
Fosgemcitabine palabenamide (USAN/INN) |
|---|
| Formula |
C25H27F2N4O8P
|
|---|
| Exact mass |
580.1535
|
|---|
| Mol weight |
580.47
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Comment |
Treatment of advanced biliary tract cancer
Active form of prodrug: Gemcitabine [DR: D02368]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa00983 | Drug metabolism - other enzymes |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
D12387 Fosgemcitabine palabenamide
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Ribonucleoside-diphosphate reductase
RRM1
D12387 Fosgemcitabine palabenamide (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 40
1 C1y C 18.6200 -16.3100
2 N4y N 20.0200 -15.2600
3 C1z C 18.2700 -17.6400
4 O2x O 17.5000 -15.4700
5 C8y C 21.2100 -15.8200
6 C8x C 20.0200 -13.7900
7 C1y C 16.8000 -17.6400
8 X F 18.2700 -19.0400
9 X F 19.5300 -17.6400
10 C1y C 16.3800 -16.3100
11 N5x N 22.3300 -15.1200
12 O5x O 21.2100 -17.1500
13 C8x C 21.0700 -13.0200
14 O1a O 15.9600 -18.6900
15 C8y C 22.3300 -13.7200
16 N1a N 23.4500 -12.8800
17 C1b C 15.1900 -15.6100
18 O2b O 14.0000 -16.3100
19 P1b P 12.6700 -15.6100
20 N1b N 11.4800 -16.3100
21 C1c C 10.2900 -15.6100
22 C7a C 9.1000 -16.3100
23 O7a O 7.9100 -15.6100
24 C1b C 6.7200 -16.3100
25 O3b O 11.6200 -14.6300
26 O2b O 13.6500 -14.6300
27 C8y C 13.3000 -13.3000
28 C8x C 14.2800 -12.3200
29 C8x C 13.9300 -10.9200
30 C8x C 12.5300 -10.5700
31 C8x C 11.5500 -11.5500
32 C8x C 11.9000 -12.9500
33 C1a C 10.2900 -14.2100
34 O6a O 9.1000 -17.7100
35 C8y C 5.5300 -15.6100
36 C8x C 5.5300 -14.2100
37 C8x C 4.2700 -13.5100
38 C8x C 3.0800 -14.2100
39 C8x C 3.0800 -15.6100
40 C8x C 4.2700 -16.3100
BOND 43
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 7 14 1 #Down
14 11 15 2
15 15 16 1
16 7 10 1
17 13 15 1
18 10 17 1 #Up
19 17 18 1
20 19 18 1 #Down
21 19 20 1 #Up
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 25 2
27 19 26 1
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 27 32 1
35 21 33 1 #Down
36 22 34 2
37 24 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 35 40 1
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