KEGG   DRUG: PalbociclibHelp
Entry
D10372                      Drug                                   

Name
Palbociclib (JAN/USAN);
Ibrance (TN)
Product
Formula
C24H29N7O2
Exact mass
447.2383
Mol weight
447.5328
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 4291
ATC code: L01XE33
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
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE33 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)
Antineoplastics [br08340.html]
 D10372
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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]
 Companion diagnostics
  D10372
BRITE hierarchy
Other DBs
CAS: 571190-30-2
PubChem: 172232465
ChEBI: 85993
ChEMBL: CHEMBL189963
PDB-CCD: LQQ[PDBj]
LinkDB All DBs
KCF data Show

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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