KEGG   DRUG: LorlatinibHelp
Entry
D11012                      Drug                                   

Name
Lorlatinib (JAN/USAN/INN);
Lorbrena (TN)
Product
Formula
C21H19FN6O2
Exact mass
406.1554
Mol weight
406.413
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 4291
ATC code: L01XE44
Product: D11012<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (ALK positive) [DS:H00014]
Target
EML4-ALK [HSA_VAR:238v2] [HSA:238] [KO:K05119]
ALK (CD246) [HSA:238] [KO:K05119]
ROS1 [HSA:6098] [KO:K05088]
  Network
N10004  Second/third-generation tyrosine kinase inhibitor to ALK fusion
  Pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP induction: CYP3A [HSA:1576 1577 1551]
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
     L01XE44 Lorlatinib
      D11012  Lorlatinib (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11012  Lorlatinib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1
     D11012  Lorlatinib (JAN/USAN/INN) <JP/US>
   ALK family
    ALK (CD246)
     D11012  Lorlatinib (JAN/USAN/INN) <JP/US>
    EML4-ALK [HSA_VAR:238v2]
     D11012  Lorlatinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11012
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11012
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11012
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11012
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11012
BRITE hierarchy
Other DBs
CAS: 1454846-35-5
PubChem: 346930790
ChEBI: 143117
ChEMBL: CHEMBL3286830
PDB-CCD: 5P8[PDBj]
KCF data Show

ATOM        30
            1   C8y C    18.0153  -18.0595
            2   C8y C    18.0153  -19.3981
            3   N5x N    19.1531  -20.0674
            4   C8x C    20.3579  -19.3981
            5   C8y C    20.3579  -18.0595
            6   C8x C    19.1531  -17.3902
            7   C8y C    21.4957  -17.3902
            8   O2x O    16.8775  -17.3902
            9   C1y C    16.8775  -16.0516
            10  C8y C    15.7397  -15.3823
            11  C8y C    22.7673  -17.7918
            12  N4y N    23.7105  -16.7209
            13  N5x N    22.7673  -15.5100
            14  C8y C    21.4957  -16.0516
            15  C1x C    19.6216  -15.3823
            16  C8y C    15.7397  -14.0437
            17  C8x C    14.6018  -13.3744
            18  C8x C    13.4640  -14.0437
            19  C8y C    13.4640  -15.3823
            20  C8x C    14.6018  -16.0516
            21  X   F    12.3262  -16.0516
            22  C5x C    17.7476  -13.3744
            23  N1y N    19.6216  -14.0437
            24  O5x O    17.7476  -12.0358
            25  C1a C    18.0395  -15.3870
            26  N1a N    16.8533  -20.0628
            27  C1a C    25.0491  -16.7209
            28  C3b C    23.1766  -19.0664
            29  N3a N    23.5231  -20.3594
            30  C1a C    20.7393  -13.2563
BOND        33
            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     8   9 1
            10    9  10 1
            11    7  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    7  14 1
            16   15  14 1
            17   10  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   10  20 1
            23   19  21 1
            24   22  23 1
            25   22  16 1
            26   22  24 2
            27   23  15 1
            28    9  25 1 #Up
            29    2  26 1
            30   12  27 1
            31   11  28 1
            32   28  29 3
            33   23  30 1

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