General
Preferred name
CERITINIB
Synonyms
NVP-LDK378-NX ()
LDK378 ()
Ceritinib dihydrochloride ()
LDK378 dihydrochloride ()
LDK-378 ()
LDK 378 ()
4MK ()
cpd 15 ()
LDK378 (dihydrochloride) ()
CERITINIB[MI] ()
NVP-LDK-378-NX ()
ZYKADIA ()
Ceritinib (LDK378) ()
Zykadia, LDK378 dihydrochloride ()
Ceritinib-d7 ()
P&D ID
PD004094
CAS
1032900-25-6
1380575-43-8
1632484-77-5
Tags
available
drug
probe
Approved by
EMA
PMDA
FDA
First approval
2014
Drug indication
Non-small-cell lung cancer
Drug Status
approved
Max Phase
4.0
Probe info
Probe selectivity
protein-selective
Probe type
experimental probe
Probe sources
Chemical Probes.org
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ceritinib is a novel, highly selective, second generation ALK inhibitor . (GtoPdb)
MOA Inhibitor (Chemical Probes.org)
DESCRIPTION Ceritinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. (PKIDB)
DESCRIPTION Negative control for BAY 293 (Cat. No. 6857) (Tocris Bioactive Compound Library)
DESCRIPTION Ceritinib, also known as LDK378, is a selective inhibitor of ALK1, a target found in metastatic non-small cell lung cancer (NSCLC). In Phase I trials, LDK378 showed a marked clinical response in 78 patients with anaplastic lymphoma kinase positive (ALK+) metastatic non-small cell lung cancer (NSCLC) who had progressed during or after crizotinib therapy or had not been previously treated with crizotinib. LDK378 blocks the ALK protein and stops it sending growth signals to cancer cells, which may stop them growing. (BOC Sciences Bioactive Compounds)
Cell lines
35
Organisms
1
Compound Sets
38
AdooQ Bioactive Compound Library
A13238
A15142
Axon Medchem Screening Library
2224
BOC Sciences Bioactive Compounds
ldk378-dihydrochloride-cas-1380575-43-8-item-84-463207
Cayman Chemical Bioactives
19374
28768
ChEMBL Approved Drugs
CHEMBL2403108
ChEMBL Drugs
CHEMBL2403108
Chemical Probes.org
ceritinib
Clinical kinase drugs
Concise Guide to Pharmacology 2017/18
7397
Concise Guide to Pharmacology 2019/20
7397
Concise Guide to Pharmacology 2021/22
7397
Concise Guide to Pharmacology 2023/24
7397
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB09063
DrugBank Approved Drugs
DB09063
DrugCentral
4866
DrugCentral Approved Drugs
4866
DrugMAP
DMB920Z
DrugMAP Approved Drugs
DMB920Z
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101475
EUbOPEN Chemogenomics Library
EUB0000052
Guide to Pharmacology
7397
JUMP-Target 1 Compound Set
57379345
LINCS compound set
10394-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL2403108
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL2403108
Mcule NIBR MoA Box Subset
MCULE-3687521981
MedChem Express Bioactive Compound Library
HY-15656
HY-15656A
NCATS Inxight Approved Drugs
K418KG2GET
NIH Approved Oncology Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
ldk378
ceritinib-dihydrochloride
TargetMol Bioactive Compound Library
T1791
T1791L
Tocris Bioactive Compound Library
6905
External IDs
50
Properties
(calculated by RDKit )
Molecular Weight
557.22
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
6.36
TPSA
105.24
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.28
Structural alerts
1
aggregator (Aggregator Advisor)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Targets
ALK
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
Proteases/Proteasome
Protein Tyrosine Kinase/RTK
Target
IGF-1R
Insulin Receptor
STK22D
ALK, FLT3, IGF1R, INSR, TSSK1B
ALK inhibitor
Anaplastic lymphoma kinase (ALK)
ALK,FLT3,IGF-1R,Serine/threonin kinase
ALK,IGF-1R,Serine/threonin kinase
MOA
Inhibitor
ALK Inhibitors
ALK tyrosine kinase receptor inhibitor
Member status
virtual
Indication
non-small cell lung cancer (NSCLC)
Target class
Protein kinase
Kinase
Orthogonal probe
CH5424802
Target subclass
RTK
Recommended Cell Concentration
None
Source data