General
Preferred name
PKI-166
Synonyms
PKI 166 hydrochloride ()
PKI166 ()
CGP-75166 ()
NVP-PKI166 ()
Pki 166 ()
PKI-166 ()
P&D ID
PD039653
CAS
2230253-82-2
1350639-79-0
187724-61-4
Tags
available
drug candidate
Drug indication
Esophageal cancer
Drug Status
investigational
Max Phase
Phase 1
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 PKI166 is an experimental, reversible inhibitor of epidermal growth factor receptor tyrosine kinase . This is compound 46 in . Development of this compound as a clinical candidate has been terminated. (GtoPdb)
DESCRIPTION HMG-CoA reductase inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION PKI-166 is an ATP-competitive EGFR inhibitor with >3000-fold selectivity against a panel of serine/threonine kinases. It inhibits the growth and metastasis in pancreatic cancer. It also exhibits potential therapeutic effects against several cardiovascular (CV) conditions, including hypertension, heart failure, and cardiac and vascular hypertrophy. (BOC Sciences Bioactive Compounds)
Compound Sets
10
BOC Sciences Bioactive Compounds
pki-166-cas-187724-61-4-291130
Cayman Chemical Bioactives
21896
ChEMBL Drugs
CHEMBL1963502
Drug Repurposing Hub
DrugMAP
DMSQ794
Guide to Pharmacology
7642
MedChem Express Bioactive Compound Library
HY-117155
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
4941
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
330.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
4.5
TPSA
73.83
Fraction CSP3
0.1
Chiral centers
1.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
EGFR
MOA
Inhibitor
EGFR (HER1
erbB1) Inhibitors
HER2 (erbB2) Inhibitors
Inhibitors of Signal Transduction Pathways
EGFR inhibitor
Member status
member
Pathway
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Source data