| Entry |
|
|---|
| Name |
Gemcitabine elaidate (USAN/INN) |
|---|
| Formula |
C27H43F2N3O5
|
|---|
| Exact mass |
527.3171
|
|---|
| Mol weight |
527.64
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
|
|---|
| Remark |
| Product (DG00688): | D01155<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Comment |
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BC Pyrimidine analogues
L01BC05 Gemcitabine
D10222 Gemcitabine elaidate (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
DG00688 Gemcitabine
D10222 Gemcitabine elaidate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Ribonucleoside-diphosphate reductase
RRM1
D10222 Gemcitabine elaidate (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
DG00688 Gemcitabine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C1y C 25.6900 -20.7200
2 C1y C 26.1100 -22.0500
3 C1z C 27.5100 -22.0500
4 C1y C 27.9300 -20.7200
5 O2x O 26.8100 -19.8800
6 C1b C 24.5000 -20.0200
7 O7a O 23.3100 -20.7200
8 O1a O 25.2700 -23.1700
9 X F 28.9100 -22.0500
10 X F 27.5100 -23.4500
11 C7a C 22.1200 -20.0200
12 C1b C 20.9300 -20.7200
13 O6a O 22.1200 -18.6200
14 C1b C 19.7400 -20.0200
15 C1b C 18.5500 -20.7200
16 C1b C 17.2900 -20.0200
17 C1b C 16.1000 -20.7900
18 C1b C 14.9100 -20.0900
19 C1b C 13.7200 -20.7900
20 C2b C 12.5300 -20.0900
21 C2b C 11.3400 -20.7900
22 C1b C 10.0800 -20.0900
23 C1b C 8.8900 -20.8600
24 C1b C 7.7000 -20.1600
25 C1b C 6.5100 -20.8600
26 C1b C 5.3200 -20.1600
27 C1b C 4.1300 -20.8600
28 C1b C 2.9400 -20.1600
29 C1a C 1.7500 -20.8600
30 C8x C 29.1200 -18.6200
31 N4y N 29.1200 -20.0200
32 C8y C 30.3100 -20.7200
33 N5x N 31.5700 -20.0200
34 C8y C 31.5700 -18.6200
35 C8x C 30.3100 -17.9200
36 O5x O 30.2928 -22.1199
37 N1a N 32.7766 -17.9100
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Up
7 6 7 1
8 2 8 1 #Down
9 3 9 1
10 3 10 1
11 7 11 1
12 11 12 1
13 11 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 2
34 34 35 1
35 30 35 2
36 4 31 1 #Up
37 32 36 2
38 34 37 1
|
|---|
