General
Preferred name
ENTRECTINIB
Synonyms
RXDX-101, NMS-E628 ()
RXDX-101 ()
NMS-E628 ()
ROZLYTREK ()
Entrectinib (RXDX-101) ()
P&D ID
PD012826
CAS
1108743-60-7
Tags
available
obsolete probe
drug
Approved by
PMDA
FDA
First approval
2019
Drug Status
investigational
approved
Drug indication
Colorectal cancer
Neuroblastoma
Mammary analogue secretory carcinoma
Non-small cell lung cancer
Solid tumour/cancer
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
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
Entrectinib is an oral, brain penetrant, receptor tyrosine kinase (RTK) inhibitor that targets solid tumours that harbour activating alterations in NTRK1, NTRK2, NTRK3 (the Trk family RTKs), ROS1 or ALK . NTRK1 fusion proteins are becoming recognised as oncogenic-drivers in NSCLC , so the ability of the compound to target these and ALK- and ROS1-rearrangements suggests it has the potential to become a very useful oncology agent.
(GtoPdb)
DESCRIPTION
On august 2019, FDA approved entrectinib to treat adult patients with metastatic non-small cell lung cancer (NSCLC) whose tumors are ROS1-positive and to treat adult and pediatric patients 12 years of age and older with solid tumors
(PKIDB)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
8
Organisms
1
Compound Sets
23
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Clinical kinase drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
Obsolete Compounds
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
560.27
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
6
Aromatic Ring Count
4
cLogP
5.03
TPSA
85.52
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.29
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Targets
NTRK1,NTRK2,NTRK3,ROS1,ALK
Pathway
Angiogenesis
Immunology/Inflammation
Tyrosine Kinase/Adaptors
Autophagy
Neuronal Signaling
Protein Tyrosine Kinase/RTK
Target
ALK
Ros1
TrkA
TrkB
TrkC
ALK, NTRK1, NTRK2, NTRK3, ROS1
NTRK1
NTRK2
NTRK3
Anaplastic lymphoma kinase (ALK)
ROS Kinase
Trk Receptor
ALK,Autophagy,ROS1,Trk receptor
Indication
non-small cell lung cancer (NSCLC)
MOA
ALK tyrosine kinase receptor inhibitor, proto-oncogene tyrosine protein kinase inhibitor
Source data
