KEGG   DRUG: GemcitabineHelp
Entry
D02368                      Drug                                   

Name
Gemcitabine (USAN/INN)
Formula
C9H11F2N3O4
Exact mass
263.0718
Mol weight
263.1981
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01439  Arabinofuranosyl type antineoplastic
 DG01439  Arabinofuranosyl type antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01439  Arabinofuranosyl type antineoplastic
Remark
Same as: C07650
ATC code: L01BC05
Chemical structure group: DG00688
Product (DG00688): D01155<JP/US>
Efficacy
Antineoplastic, Antimetabolite
Target
RRM1 [HSA:6240] [KO:K10807]
  Pathway
hsa00230  Purine metabolism
hsa00240  Pyrimidine metabolism
Interaction
Drug 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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Ribonucleoside-diphosphate reductase
    RRM1
     D02368  Gemcitabine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 95058-81-4
PubChem: 7849427
ChEBI: 175901
ChEMBL: CHEMBL888
DrugBank: DB00441
PDB-CCD: GEO[PDBj]
LigandBox: D02368
NIKKAJI: J357.909C
KCF data Show

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

» Japanese version   » Back

KEGG   DRUG: Gemcitabine hydrochlorideHelp
Entry
D01155                      Drug                                   

Name
Gemcitabine hydrochloride (JAN/USAN);
Gemzar (TN)
Product
  Generic
GEMCITABINE (Actavis Pharma), GEMCITABINE (Bedford Laboratories), GEMCITABINE (Dr. Reddy's Laboratories Limited), GEMCITABINE (Fresenius Kabi USA), GEMCITABINE (Fresenius Kabi USA), GEMCITABINE (Fresenius Kabi USA), GEMCITABINE (Hospira), GEMCITABINE (Hospira), GEMCITABINE HYDROCHLORIDE (Accord Healthcare), GEMCITABINE HYDROCHLORIDE (Actavis Pharma), GEMCITABINE (Apotex Corp.), GEMCITABINE (Athenex Pharmaceutical Division), GEMCITABINE HYDROCHLORIDE (BluePoint Laboratories), GEMCITABINE HYDROCHLORIDE (Cipla USA), GEMCITABINE HYDROCHLORIDE (Gland Pharma Limited), GEMCITABINE HYDROCHLORIDE (Heritage Pharmaceuticals), GEMCITABINE HYDROCHLORIDE (Heritage Pharmaceuticals), GEMCITABINE HYDROCHLORIDE (Heritage Pharmaceuticals), GEMCITABINE (Meitheal Pharmaceuticals), GEMCITABINE (Mylan Institutional LLC), GEMCITABINE HYDROCHLORIDE (Mylan Institutional LLC), GEMCITABINE (Sagent Pharmaceuticals)
Formula
C9H11F2N3O4. HCl
Exact mass
299.0484
Mol weight
299.6591
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01439  Arabinofuranosyl type antineoplastic
 DG01439  Arabinofuranosyl type antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01439  Arabinofuranosyl type antineoplastic
Remark
Therapeutic category: 4224
ATC code: L01BC05
Chemical structure group: DG00688
Product (DG00688): D01155<JP/US>
Efficacy
Antineoplastic, Antimetabolite
  Disease
Ovarian cancer [DS:H00027]
Breast cancer [DS:H00031]
Non-small cell lung cancer [DS:H00014]
Pancreatic cancer [DS:H00019]
Target
RRM1 [HSA:6240] [KO:K10807]
  Pathway
hsa00230  Purine metabolism
hsa00240  Pyrimidine metabolism
Interaction
Drug 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
      D01155  Gemcitabine hydrochloride (JAN/USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4224  Cytosines
     D01155  Gemcitabine hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Ribonucleoside-diphosphate reductase
    RRM1
     D01155  Gemcitabine hydrochloride (JAN/USAN) <JP/US>
Antineoplastics [br08340.html]
 D01155
BRITE hierarchy
Other DBs
CAS: 122111-03-9
PubChem: 7848218
ChEBI: 31647
ChEMBL: CHEMBL1637
DrugBank: DB00441
LigandBox: D01155
NIKKAJI: J1.894.035C
KCF data Show

ATOM        19
            1   X   Cl   23.2764  -19.8780
            2   C1y C    17.7120  -17.4316
            3   N4y N    19.0399  -16.3826
            4   C1z C    17.3620  -18.7617
            5   O2x O    16.5919  -16.5915
            6   C8y C    20.2923  -17.0271
            7   C8x C    19.0366  -15.0038
            8   C1y C    15.8918  -18.7617
            9   X   F    17.3620  -20.1618
            10  X   F    18.6221  -18.7617
            11  C1y C    15.4718  -17.4316
            12  N5x N    21.4481  -16.2155
            13  O5x O    20.2882  -18.2891
            14  C8x C    20.2624  -14.1922
            15  O1a O    15.0518  -19.8118
            16  C1b C    14.2817  -17.0116
            17  C8y C    21.4448  -14.8367
            18  O1a O    13.2316  -18.0616
            19  N1a N    22.6122  -14.0638
BOND        19
            1     2   3 1 #Up
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1
            10    6  12 1
            11    6  13 2
            12    7  14 2
            13    8  15 1 #Down
            14   11  16 1 #Up
            15   12  17 2
            16   16  18 1
            17   17  19 1
            18    8  11 1
            19   14  17 1

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