General
Preferred name
PD-168393
Synonyms
PD168393 ()
PD 168393 ()
P&D ID
PD005576
CAS
194423-15-9
3968-03-4
Tags
drug candidate
covalent binder
available
Drug indication
Discovery agent
Drug Status
experimental
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 PD-168393 is a potent, cell-permeable, irreversible, ATP-competitive and selective inhibitor of EGF receptor (EGFR) tyrosine kinase activity (IC50 = 700 pM). It is effective in vivo, suppressing the growth of human epidermoid carcinoma xenografts in mice. (BOC Sciences Bioactive Compounds)
Cell lines
4
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CovalentInDB
Drug Repurposing Hub
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
368.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
4.26
TPSA
66.91
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
JAK/STAT Signaling
Chromatin/Epigenetic
Apoptosis
Autophagy
Protein Tyrosine Kinase/RTK
Target
EGFR
FGFR
Insulin Receptor
PDGFR
PKC
EGFR, ERBB2, SRC
MOA
EGFR inhibitor
Solubility
DMSO: 25 mg/mL, clear
Source data