KEGG   DRUG: Icotinib
Entry
D11251                      Drug                                   
Name
Icotinib
Formula
C22H21N3O4
Exact mass
391.1532
Mol weight
391.42
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Remark
ATC code: L01EB08
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
EGFR [HSA:1956] [KO:K04361]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa05200  Pathways in cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB08 Icotinib
      D11251  Icotinib
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D11251  Icotinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D11251  Icotinib
Other DBs
CAS: 610798-31-7
PubChem: 384585229
LinkDB
KCF data

ATOM        29
            1   O2x O    24.2200  -10.9200
            2   C1x C    22.8200  -10.9200
            3   C1x C    21.8400  -11.9000
            4   C1x C    21.8400  -13.3000
            5   C1x C    22.8200  -14.3500
            6   O2x O    24.2200  -14.3500
            7   C1x C    25.2000  -13.3000
            8   C1x C    25.2000  -11.9000
            9   O2x O    20.6500  -14.0000
            10  C8y C    19.3900  -13.3000
            11  C8y C    19.3900  -11.9000
            12  O2x O    20.6500  -11.2000
            13  C8x C    18.2000  -14.0000
            14  C8y C    17.0100  -13.3000
            15  C8y C    17.0100  -11.9000
            16  C8x C    18.2000  -11.2000
            17  C8y C    15.7500  -14.0000
            18  N5x N    14.5600  -13.3000
            19  C8x C    14.5600  -11.9000
            20  N5x N    15.7500  -11.2000
            21  N1b N    15.7500  -15.4000
            22  C8y C    16.9653  -16.0951
            23  C8x C    16.9711  -17.4997
            24  C8y C    18.1864  -18.1947
            25  C8x C    19.3959  -17.4897
            26  C8x C    19.3901  -16.0851
            27  C8x C    18.1748  -15.3901
            28  C3b C    18.1921  -19.6000
            29  C3a C    18.1921  -21.0000
BOND        32
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   1 1
            8     4   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    3  12 1
            13   10  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   17  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 3

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