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
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)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   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]
LinkDB All DBs
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

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