KEGG   DRUG: Panobinostat lactate
Entry
D10019                      Drug                                   
Name
Panobinostat lactate (JAN);
Farydak (TN)
Formula
C21H23N3O2. C3H6O3
Exact mass
439.2107
Mol weight
439.50
Structure
Simcomp
Class
Antineoplastic
 DG03133  Histone deacetylase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: L01XH03
Chemical structure group: DG01403
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Target
HDAC [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933 79885] [KO:K06067 K11404 K11406 K11407 K11408 K11405 K11409 K18671 K11418]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XH Histone deacetylase (HDAC) inhibitors
     L01XH03 Panobinostat
      D10019  Panobinostat lactate (JAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Panobinostat
    D10019  Panobinostat lactate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03133  Histone deacetylase inhibitor
   DG01403  Panobinostat
    D10019  Panobinostat lactate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01403  Panobinostat
     D10019  Panobinostat lactate
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01403  Panobinostat
    D10019  Panobinostat lactate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC
     D10019  Panobinostat lactate (JAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10019
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10019
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10019
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10019
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10019
Drug groups [BR:br08330]
 Antineoplastic
  DG03133  Histone deacetylase inhibitor
   DG01403  Panobinostat
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01403  Panobinostat
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01403  Panobinostat
Other DBs
PubChem: 135626740
ChEBI: 85991
LigandBox: D10019
LinkDB
KCF data

ATOM        32
            1   C8y C    16.6600  -18.5500
            2   C8x C    16.6600  -17.1500
            3   C8x C    17.8500  -16.4500
            4   C8y C    19.1100  -17.1500
            5   C8x C    19.1100  -18.5500
            6   C8x C    17.8500  -19.2500
            7   C2b C    20.3000  -16.4500
            8   C2b C    21.4900  -17.1500
            9   C5a C    22.6800  -16.4500
            10  N1b N    23.8700  -17.1500
            11  O5a O    22.6800  -15.0500
            12  O1b O    25.0600  -16.4500
            13  C1b C    15.4700  -19.2500
            14  N1b N    14.2800  -18.5500
            15  C1b C    13.0900  -19.2500
            16  C1b C    11.9000  -18.5500
            17  C8y C    10.7100  -19.2500
            18  C8y C    10.7100  -20.6500
            19  N4x N     9.3800  -21.0700
            20  C8y C     8.5400  -19.9500
            21  C8y C     9.3800  -18.8300
            22  C8x C     7.1400  -19.8100
            23  C8x C     6.5800  -18.4800
            24  C8x C     7.4200  -17.3600
            25  C8x C     8.8200  -17.5000
            26  C1a C    11.8300  -21.4900
            27  O1a O    26.4600  -19.3900
            28  C1c C    27.6724  -20.0900
            29  C6a C    28.8679  -19.3996
            30  C1a C    27.6725  -21.4898
            31  O6a O    30.0553  -20.0851
            32  O6a O    28.8680  -17.9903
BOND        33
            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
            29   27  28 1
            30   28  29 1
            31   28  30 1
            32   29  31 1
            33   29  32 2

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