KEGG   DRUG: RibociclibHelp
Entry
D10883                      Drug                                   

Name
Ribociclib (USAN/INN)
Formula
C23H30N8O
Exact mass
434.2543
Mol weight
434.5373
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: L01XE42
Chemical structure group: DG02084
Product (DG02084): D10979<US>
Product (mixture): D11068<US>
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE42 Ribociclib
      D10883  Ribociclib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D10883  Ribociclib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1211441-98-3
PubChem: 333497492
ChEMBL: CHEMBL3545110
PDB-CCD: 6ZZ[PDBj]
LinkDB All DBs
KCF data Show

ATOM        32
            1   N5x N    10.7100  -11.4800
            2   C8y C    10.7100  -12.8800
            3   N5x N     9.5200  -13.5800
            4   C8y C     8.2600  -12.8800
            5   C8y C     8.2600  -11.4800
            6   C8x C     9.5200  -10.7800
            7   N4y N     6.9300  -13.3000
            8   C8y C     6.1600  -12.1800
            9   C8x C     6.9300  -11.0600
            10  N1b N    11.9000  -13.5800
            11  C8y C    13.0900  -12.8800
            12  C8x C    13.0900  -11.4800
            13  C8x C    14.3500  -10.7800
            14  C8y C    15.5400  -11.4800
            15  C8x C    15.5400  -12.8800
            16  N5x N    14.3500  -13.5800
            17  N1y N    16.7300  -10.7800
            18  C1x C    16.7300   -9.3800
            19  C1x C    17.9900   -8.6800
            20  N1x N    19.1800   -9.3800
            21  C1x C    19.1800  -10.7800
            22  C1x C    17.9900  -11.4800
            23  C5a C     4.7600  -12.1800
            24  C1y C     6.5100  -14.6300
            25  C1x C     7.3500  -15.7500
            26  C1x C     6.5100  -16.8700
            27  C1x C     5.1800  -16.4500
            28  C1x C     5.1800  -15.0500
            29  O5a O     4.0600  -13.3700
            30  N1c N     4.0600  -10.9900
            31  C1a C     2.6600  -10.9900
            32  C1a C     4.7600   -9.8000
BOND        36
            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 1
            9     8   9 2
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26    8  23 1
            27    7  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   24  28 1
            33   23  29 2
            34   23  30 1
            35   30  31 1
            36   30  32 1

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