General
Preferred name
brigatinib
Synonyms
AP-26113 ()
AP 26113 ()
AP26113 ()
CS-4278 ()
ALUNBRIG ()
Brigatinib (AP26113) ()
Brigatinib (AP-26113) ()
P&D ID
PD012803
CAS
1197953-54-0
Tags
available
drug
probe
Approved by
FDA
PMDA
EMA
First approval
2017
Drug indication
Anaplastic large cell lymphoma
Non-small-cell lung cancer
Drug Status
approved
investigational
Max Phase
4.0
Probe info
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
42
No orthogonal probes found
Similar probes
7
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Brigatinib (AP26113) is a phosphine oxide-containing drug developed as a treatment for cancers driven by anaplastic lymphoma kinase (ALK) rearrangements or by T790M gatekeeper mutant EGFR. It is an orally available inhibitor.
(GtoPdb)
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
The anaplastic lymphoma kinase positive, metastatic non-small cell lung cancer (ALK+ NSCLC), represents only 3-5% of the NSCLC cancer cases, but the ALK mutation, overexpression and presence in several oncogenic fusion proteins in solid and hematologic tumors have pointed out the importance as well as its potential as a cancer therapy target. The ALK-related cases of NSCLC are associated with the presence of the fusion gene EML4-ALK which fused the ALK protein with the echinoderm microtubule-associated protein like-4 whose original function is the correct formation of microtubules. The presence of the aberrant fusion protein results in abnormal signaling that provokes increased cell growth, proliferation and survival. Crizotinib is indicated for the treatment of such cases but the presence of ALK kinase domain mutations confer resistance to the treatment. Thus, brigatinib is indicated for the treatment of patients with ALK+ NSCLC with intolerance to Crizotinib.
(PKIDB)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
10
Organisms
0
Compound Sets
23
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Chemical Probes.org
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
583.26
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
3
cLogP
5.09
TPSA
85.86
Fraction CSP3
0.45
Chiral centers
0.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
FLT inhibitor
IGF-1R inhibitor
ROS inhibitor
ALK tyrosine kinase receptor inhibitor, EGFR inhibitor
Pathway
Angiogenesis
Immunology/Inflammation
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Target
EGFR (C797S/del19)
FLT3
IGF-1R
Ros1
ALK, EGFR
ALK inhibitor
Anaplastic lymphoma kinase (ALK)
ALK
EGFR
ALK,EGFR,FLT3,IGF-1R,ROS1
Indication
non-small cell lung cancer (NSCLC)
Orthogonal probe
Ceritinib
Target class
Protein kinase
Kinase
Target subclass
RTK
Recommended Cell Concentration
None
Source data
