General
Preferred name
NERATINIB
Synonyms
CDP-820, HKI-272, WAY-179272 ()
HKI-272 ()
Neratinib (HKI-272) ()
Nerlynx ()
N-6404 ()
NERATINIB MALEATE ()
Neratinib (maleate) ()
CDP-820 ()
WAY-179272 ()
HKI-272 (maleate) ()
Neratinib maleate anhydrous ()
P&D ID
PD003298
CAS
698387-09-6
915942-22-2
Tags
covalent binder
drug
available
Approved by
EMA
FDA
First approval
2017
Drug Status
investigational
approved
Drug indication
HER2/NEU overexpressing breast cancer
Breast 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
Neratinib is an irreversible inhibitor of the receptor tyrosine kinase (RTK), ErbB2 . It also inhibits the related RTK, EGFR.
(GtoPdb)
DESCRIPTION
inhibitor of EGFR and HER2
(Informer Set)
DESCRIPTION
For use as an extended adjuvant treatment in adult patients with early stage HER2-overexpressed/amplified breast cancer, to follow adjuvant trastuzumab-based therapy
(PKIDB)
DESCRIPTION
Potent and selective CDK8 and CDK19 inhibitor; maintains pluripotency of mouse PSCs in culture
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
12
Organisms
0
Compound Sets
30
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Clinical kinase drugs
Concise Guide to Pharmacology 2017/18
CovalentInDB
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Informer Set
JUMP-MOA Compound Set
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Molecular Weight
556.2
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
11
Ring Count
4
Aromatic Ring Count
4
cLogP
5.93
TPSA
112.4
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
EGFR
ERBB2
HER2
EGFR, ERBB2, KDR
EGFR/HER2 inhibitor
EGFR,HER2
Compound status
clinical
Targets
ERBB2,EGFR
Pathway
Angiogenesis
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
MOA
HER
Inhibitor
EGFR inhibitor
Indication
breast cancer
Therapeutic Class
Anticancer Agents
Source data
