General
Preferred name
NERATINIB
Synonyms
CDP-820, HKI-272, WAY-179272 ()
HKI-272 maleate ()
HKI-272 ()
Neratinib (HKI-272) ()
NERATINIB MALEATE ()
Neratinib (maleate) ()
HKI-272 (maleate) ()
NeratinibNerlynxHKI-272N-6404 ()
CDP-820 ()
WAY-179272 ()
Nerlynx ()
Neratinib maleate anhydrous ()
P&D ID
PD003298
CAS
698387-09-6
915942-22-2
Tags
available
covalent binder
drug
Approved by
FDA
EMA
First approval
2017
Drug indication
HER2/NEU overexpressing breast cancer
breast neoplasm
Breast cancer
breast carcinoma
Drug Status
approved
investigational
Max Phase
4.0
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 Neratinib is an irreversible inhibitor of the receptor tyrosine kinase (RTK), ErbB2 . It also inhibits the related RTK, EGFR. (GtoPdb)
DESCRIPTION Neratinib (HKI-272) is an orally available, irreversible, highly selective HER2 and EGFR inhibitor with IC50s of 59 nM and 92 nM, respectively[1].
PRICE 44
DESCRIPTION Neratinib (HKI-272) maleate is an orally available, irreversible, highly selective HER2 and EGFR inhibitor with IC50s of 59 nM and 92 nM, respectively[1].
PRICE 33
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)
DESCRIPTION Neratinib is a tyrosine kinase inhibitor which exhibits antitumor action against Epidermal Growth Factor Receptor, HER2, and Human Epidermal Growth Factor Receptor 4 (HER4) postive carcinomas. It is used to treat breast cancer that over expresses the HER2 receptor. (Enamine Bioactive Compounds)
DESCRIPTION Neratinib (HKI-272) (HKI-272) is an orally available, irreversible tyrosine kinase inhibitor for HER2 and EGFR (IC50: 59/92 nM), respectively. (TargetMol Bioactive Compound Library)
DESCRIPTION Neratinib maleate (HKI-272 maleate) is an irreversible, orally active and highly selective inhibitor of HER2 and EGFR with IC50 values of 59 nM and 92 nM, respectively.Neratinib maleate has antitumor activity and can be used to treat gastrointestinal, respiratory, genitourinary, and cutaneous and musculoskeletal diseases, and can be used to study breast and prostate cancer. used in the study of breast and prostate cancer. (TargetMol Bioactive Compound Library)
Cell lines
18
Organisms
0
Compound Sets
33
AdooQ Bioactive Compound Library
A10638
Axon Medchem Screening Library
1526
Cayman Chemical Bioactives
18404
ChEMBL Approved Drugs
CHEMBL180022
CHEMBL3989921
ChEMBL Drugs
CHEMBL180022
CHEMBL3989921
Clinical kinase drugs
Concise Guide to Pharmacology 2017/18
5686
CovalentInDB
CI002489
CovBinderInPDB
CBR006196
CBR007085
CBR007086
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB11828
DrugBank Approved Drugs
DB11828
DrugCentral
5252
DrugCentral Approved Drugs
5252
DrugMAP
DM6QOVN
DMEDU7B
DrugMAP Approved Drugs
DMEDU7B
Enamine Bioactive Compounds
EBC-27314
EU-OPENSCREEN Bioactive Compound Library
EOS100992
EUbOPEN Chemogenomics Library
EUB0000592
Guide to Pharmacology
5686
Informer Set
418038
JUMP-MOA Compound Set
9915743
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL180022
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL180022
MedChem Express Bioactive Compound Library
HY-32721
HY-32721B
NCATS Inxight Approved Drugs
JJH94R3PWB
NIH Approved Oncology Drugs
440801774
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
Neratinib(HKI-272)
TargetMol Bioactive Compound Library
T2325
T67385
Tocris Bioactive Compound Library
7371
External IDs
45
Properties
(calculated by RDKit )
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
MOA
HER
Inhibitor
EGFR inhibitor
Indication
breast cancer
Therapeutic Class
Anticancer Agents
Pathway
Angiogenesis
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Recommended Cell Concentration
None
Source data