KEGG   DRUG: Eflornithine hydrochlorideHelp
Entry
D00829                      Drug                                   

Name
Eflornithine hydrochloride (USAN);
Vaniqa (TN)
Product
Formula
C6H12F2N2O2. HCl. H2O
Exact mass
236.0739
Mol weight
236.6447
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: D11AX16 P01CX03
Chemical structure group: DG00440
Product (DG00440): D00829<US>
Efficacy
Antineoplastic, Antiprotozoal, Ornithine decarboxylase inhibitor
Target
ODC1 [HSA:4953] [KO:K01581]
  Pathway
hsa00330  Arginine and proline metabolism
hsa00480  Glutathione metabolism
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX16 Eflornithine
      D00829  Eflornithine hydrochloride (USAN) <US>
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01C AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
    P01CX Other agents against leishmaniasis and trypanosomiasis
     P01CX03 Eflornithine
      D00829  Eflornithine hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Dermatological Agents, Other
   Miscellaneous, dermatological
    Eflornithine
     D00829  Eflornithine hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Carboxy-lyases
    ODC1
     D00829  Eflornithine hydrochloride (USAN) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00829
BRITE hierarchy
Other DBs
CAS: 96020-91-6
PubChem: 7847894
ChEBI: 4762
ChEMBL: CHEMBL1201037
LigandBox: D00829
NIKKAJI: J2.208.704E
LinkDB All DBs
KCF data Show

ATOM        14
            1   C1d C    18.3240  -17.0568
            2   C1b C    19.5346  -17.7586
            3   C6a C    18.3123  -15.6532
            4   C1c C    17.1193  -17.7586
            5   N1a N    18.3123  -18.4428
            6   C1b C    20.7452  -17.0568
            7   O6a O    19.5229  -14.9339
            8   O6a O    17.0900  -14.9573
            9   X   F    15.9028  -17.0626
            10  X   F    17.1193  -19.1563
            11  C1b C    21.9558  -17.7586
            12  N1a N    23.1722  -17.0568
            13  O0  O    27.7514  -16.7234
            14  X   Cl   27.3700  -18.6200
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    6  11 1
            11   11  12 1

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