KEGG   DRUG: Capmatinib hydrochlorideHelp
Entry
D10891                      Drug                                   

Name
Capmatinib hydrochloride (USAN);
Capmatinib hydrochloride hydrate (JAN);
Tabrecta (TN)
Product
Formula
C23H17FN6O. 2HCl. H2O
Exact mass
502.1087
Mol weight
503.3562
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02081
Product (DG02081): D10891<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (MET exon 14 skipping positive) [DS:H00014]
Target
MET* [HSA_VAR:4233v4] [HSA:4233] [KO:K05099]
  Network
N10024  Tyrosine kinase inhibitor to MET exon 14 skipping
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05202  Transcriptional misregulation in cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], AOX1 [HSA:316]
Interaction
Drug interaction
Brite
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10891
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10891
BRITE hierarchy
Other DBs
CAS: 1865733-40-9
PubChem: 336445209
ChEMBL: CHEMBL3989937
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    13.3653  -15.8844
            2   C8y C    13.3653  -17.2839
            3   C8x C    14.6248  -17.9837
            4   C8x C    15.8144  -17.2839
            5   C8y C    15.8144  -15.8844
            6   C8x C    14.6248  -15.1846
            7   C8y C    17.0740  -15.1846
            8   X   F    12.1757  -15.1846
            9   C5a C    12.1757  -17.9837
            10  N1b N    10.9861  -17.2839
            11  O5a O    12.1757  -19.3832
            12  C1a C     9.7965  -17.9837
            13  N5x N    18.2636  -15.8144
            14  N4y N    19.4531  -15.1147
            15  C8y C    19.4531  -13.7152
            16  N5x N    18.2636  -13.0154
            17  C8x C    17.0740  -13.7152
            18  C8y C    20.7827  -15.6045
            19  C8x C    21.6224  -14.4149
            20  N5x N    20.7827  -13.2953
            21  C1b C    21.2025  -16.9340
            22  C8y C    22.6020  -16.9340
            23  C8x C    23.3018  -18.1936
            24  C8y C    24.7013  -18.1936
            25  C8y C    25.4010  -16.9340
            26  C8x C    24.7013  -15.7445
            27  C8x C    23.3018  -15.7445
            28  C8x C    25.4010  -19.3832
            29  C8x C    26.8006  -19.3832
            30  C8x C    27.5003  -18.1936
            31  N5x N    26.8006  -16.9340
            32  X   Cl   17.2200  -19.9500
            33  O0  O    21.9100  -19.9500
            34  X   Cl   17.2200  -19.9500
BOND        35
            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     5   7 1
            8     1   8 1
            9     2   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13    7  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18    7  17 1
            19   14  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23   18  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   24  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   25  31 1
BRACKET     1    15.6100  -20.7900   15.6100  -18.8300
            1    18.4100  -18.8300   18.4100  -20.7900
            1  2
 ORIGINAL  1   32
 REPEAT    1   34

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