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 (Ingenus Pharmaceuticals), GEMCITABINE (Sagent Pharmaceuticals), 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 (NorthStar Rx 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
LinkDB All DBs
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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