KEGG   DRUG: Palbociclib
Entry
D10372                      Drug                                   
Name
Palbociclib (JAN/USAN);
Ibrance (TN)
Product
IBRANCE (Pfizer Laboratories Div Pfizer), IBRANCE (Pfizer Laboratories Div Pfizer), IBRANCE (U.S. Pharmaceuticals), IBRANCE (U.S. Pharmaceuticals)
Formula
C24H29N7O2
Exact mass
447.2383
Mol weight
447.5328
Structure
Simcomp
Class
Antineoplastic
 DG03138  CDK inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EF01
Chemical structure group: DG01831
Product (DG01831): D10372<JP/US>
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
  Disease
Breast cancer (HR positive, HER2 negative) [DS:H00031]
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EF Cyclin-dependent kinase (CDK) inhibitors
     L01EF01 Palbociclib
      D10372  Palbociclib (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Palbociclib
    D10372  Palbociclib (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10372  Palbociclib (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   DG01831  Palbociclib
    D10372  Palbociclib
Drug classes [BR:br08332]
 Antineoplastic
  DG03138  CDK inhibitor
   D10372  Palbociclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D10372  Palbociclib (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10372
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10372
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10372
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10372
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10372
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   DG01831  Palbociclib
Other DBs
CAS: 571190-30-2
PubChem: 172232465
ChEBI: 85993
PDB-CCD: LQQ[PDBj]
KCF data

ATOM        33
            1   C1x C    26.9500  -22.2600
            2   N1x N    26.9500  -20.8600
            3   C1x C    25.6900  -20.1600
            4   C1x C    24.5000  -20.8600
            5   N1y N    24.5000  -22.2600
            6   C1x C    25.6900  -22.9600
            7   C8y C    23.2400  -23.0300
            8   C8x C    22.0500  -22.3300
            9   C8x C    20.8600  -23.0300
            10  C8y C    20.8600  -24.4300
            11  N5x N    22.0500  -25.1300
            12  C8x C    23.2400  -24.4300
            13  N1b N    19.6000  -25.1300
            14  C8y C    18.4100  -24.4300
            15  N5x N    18.4100  -22.9600
            16  C8y C    17.2200  -22.2600
            17  C8y C    15.9600  -22.9600
            18  C8x C    15.9600  -24.4300
            19  N5x N    17.2200  -25.1300
            20  N4y N    17.2200  -20.8600
            21  C8y C    15.9600  -20.1600
            22  C8y C    14.7700  -20.8600
            23  C8y C    14.7700  -22.2600
            24  C1y C    18.4100  -20.1600
            25  C5a C    13.5800  -20.1600
            26  C1a C    12.3900  -20.8600
            27  O5a O    13.5800  -18.7600
            28  O5x O    15.9600  -18.7600
            29  C1a C    13.5800  -22.9600
            30  C1x C    19.7374  -20.6050
            31  C1x C    20.5708  -19.4801
            32  C1x C    19.7585  -18.3398
            33  C1x C    18.4230  -18.7600
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   17  23 1
            27   20  24 1
            28   22  25 1
            29   25  26 1
            30   25  27 2
            31   21  28 2
            32   23  29 1
            33   24  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   24  33 1

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Ontology (11)   
   KEGG BRITE (11)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
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