KEGG   DRUG: OxfenicineHelp
Entry
D05292                      Drug                                   

Name
Oxfenicine (USAN/INN)
Formula
C8H9NO3
Exact mass
167.0582
Mol weight
167.162
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Remark
Same as: C12323
Efficacy
Vasodilator
Target
  Pathway
hsa00071  Fatty acid degradation
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   carnitine palmitoyltransferase (CPT) 1
    Oxfenicine
     D05292  Oxfenicine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 32462-30-9
PubChem: 47206995
ChEBI: 31755
ChEMBL: CHEMBL1232077
DrugBank: DB02601
PDB-CCD: D4P[PDBj]
LigandBox: D05292
NIKKAJI: J17.730J
KCF data Show

ATOM        12
            1   C8x C    16.2400  -16.2400
            2   C8x C    17.4300  -15.5400
            3   C8y C    18.6200  -16.2400
            4   C8x C    18.6200  -17.5700
            5   C8x C    17.4300  -18.2700
            6   C8y C    16.2400  -17.6400
            7   O1a O    15.0500  -18.3400
            8   C1c C    19.8800  -15.4700
            9   C6a C    21.0700  -16.1700
            10  N1a N    19.8800  -14.0700
            11  O6a O    22.2600  -15.4700
            12  O6a O    21.0700  -17.5700
BOND        12
            1     6   1 1
            2     6   7 1
            3     1   2 2
            4     3   8 1
            5     2   3 1
            6     8   9 1
            7     3   4 2
            8     8  10 1 #Down
            9     4   5 1
            10    9  11 1
            11    5   6 2
            12    9  12 2

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