KEGG   DRUG: PanobinostatHelp
Entry
D10319                      Drug                                   

Name
Panobinostat (USAN/INN);
Farydak (TN)
Formula
C21H23N3O2
Exact mass
349.179
Mol weight
349.4262
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: L01XX42
Chemical structure group: DG01403
Product (DG01403): D10019<JP/US>
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Target
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX42 Panobinostat
      D10319  Panobinostat (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC
     D10319  Panobinostat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 404950-80-7
PubChem: 163312349
ChEBI: 85990
ChEMBL: CHEMBL483254
PDB-CCD: LBH[PDBj]
KCF data Show

ATOM        26
            1   C8y C    21.9100  -17.0800
            2   C8x C    21.9100  -15.6800
            3   C8x C    23.1000  -14.9800
            4   C8y C    24.3600  -15.6800
            5   C8x C    24.3600  -17.0800
            6   C8x C    23.1000  -17.7800
            7   C2b C    25.5500  -14.9800
            8   C2b C    26.7400  -15.6800
            9   C5a C    27.9300  -14.9800
            10  N1b N    29.1200  -15.6800
            11  O5a O    27.9300  -13.5100
            12  O1b O    30.3100  -14.9800
            13  C1b C    20.6500  -17.7800
            14  N1b N    19.4600  -17.0800
            15  C1b C    18.2700  -17.7800
            16  C1b C    17.0800  -17.0800
            17  C8y C    15.8900  -17.7800
            18  C8y C    15.8900  -19.1800
            19  N4x N    14.5600  -19.6000
            20  C8y C    13.7200  -18.4800
            21  C8y C    14.5600  -17.3600
            22  C8x C    12.3200  -18.3400
            23  C8x C    11.7600  -17.0100
            24  C8x C    12.6000  -15.8900
            25  C8x C    14.0000  -16.0300
            26  C1a C    17.0100  -20.0200
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13    1  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   17  21 1
            23   20  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   21  25 2
            28   18  26 1

» Japanese version   » Back

DBGET integrated database retrieval system