| Entry |
|
|---|
| Name |
Gemcitabine (USAN/INN) |
|---|
| Formula |
C9H11F2N3O4
|
|---|
| Exact mass |
263.0718
|
|---|
| Mol weight |
263.1981
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
|
|---|
| Remark |
| Product (DG00688): | D01155<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BC Pyrimidine analogues
L01BC05 Gemcitabine
D02368 Gemcitabine (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
DG00688 Gemcitabine
D02368 Gemcitabine
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Ribonucleoside-diphosphate reductase
RRM1
D02368 Gemcitabine (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
DG00688 Gemcitabine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 18
1 C1y C 19.0557 -17.4176
2 N4y N 20.4356 -16.3930
3 C1z C 18.6979 -18.7435
4 O2x O 17.9211 -16.5985
5 C8y C 21.6236 -16.9735
6 C8x C 20.4467 -14.9188
7 C1y C 17.2276 -18.7482
8 X F 18.6880 -20.1778
9 X F 19.9297 -18.7465
10 C1y C 16.7916 -17.4248
11 N5x N 22.8007 -16.2338
12 O5x O 21.6514 -18.2899
13 C8x C 21.5224 -14.1604
14 O1a O 16.3677 -19.8363
15 C1b C 15.5996 -17.0434
16 C8y C 22.8433 -14.8413
17 O1a O 14.5701 -18.0792
18 N1a N 23.9337 -13.9931
BOND 19
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 10 15 1 #Up
15 11 16 2
16 15 17 1
17 16 18 1
18 7 10 1
19 13 16 1
|
|---|
