KEGG   DRUG: OlmutinibHelp
Entry
D10859                      Drug                                   

Name
Olmutinib (USAN/INN)
Formula
C26H26N6O2S
Exact mass
486.1838
Mol weight
486.5886
Structure
Mol fileKCF fileDB search
Remark
ATC code: L01XE40
Chemical structure group: DG02916
Efficacy
Antineoplastic
Target
EGFR [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE40 Olmutinib
      D10859  Olmutinib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D10859  Olmutinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1353550-13-6
PubChem: 319902659
ChEMBL: CHEMBL3786343
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8x C    19.4600  -13.5800
            2   C8y C    19.4600  -14.9800
            3   C8x C    18.2700  -15.6800
            4   C8x C    17.0100  -14.9800
            5   C8y C    17.0100  -13.5800
            6   C8x C    18.2700  -12.8800
            7   N1y N    20.6500  -15.6800
            8   C1x C    21.8400  -14.9800
            9   C1x C    23.1000  -15.6800
            10  N1y N    23.1000  -17.0800
            11  C1x C    21.9100  -17.7800
            12  C1x C    20.6500  -17.0800
            13  C1a C    24.2900  -17.7800
            14  N1b N    15.8200  -12.8800
            15  C8y C    14.6300  -13.5800
            16  N5x N    14.6300  -14.9800
            17  C8y C    13.3700  -15.6800
            18  C8y C    12.1800  -14.9800
            19  C8y C    12.1800  -13.5800
            20  N5x N    13.3700  -12.8800
            21  S2x S    10.8500  -15.4000
            22  C8x C    10.0100  -14.2800
            23  C8x C    10.8500  -13.1600
            24  O2a O    13.3700  -17.0800
            25  C8y C    12.1800  -17.7800
            26  C8x C    12.1800  -19.1800
            27  C8x C    10.9200  -19.8800
            28  C8x C     9.7300  -19.1800
            29  C8y C     9.7300  -17.7800
            30  C8x C    10.9200  -17.0800
            31  N1b N     8.5400  -17.0800
            32  C5a C     7.3500  -17.7800
            33  C2b C     6.1600  -17.0800
            34  C2a C     4.9700  -17.7800
            35  O5a O     7.3500  -19.1800
BOND        39
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15    5  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 2
            26   19  23 1
            27   17  24 1
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   25  30 1
            35   29  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 2
            39   32  35 2

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