General
Preferred name
TYRPHOSTIN 1
Synonyms
TYRPHOSTIN A1 ()
AG 9 ()
AG9 ()
2-[(4-methoxyphenyl)methylidene]propanedinitrile ()
AG-9 ()
P&D ID
PD015003
CAS
2826-26-8
Tags
available
drug candidate
Drug indication
Discovery agent
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 Tyrphostin A1 (AG9) can inhibit CD40L-stimulated IL-12 production and antigen-induced Th1 cell production in macrophage culture.
PRICE 126
DESCRIPTION Tyrphostin A1 (Tyrphostin 1) is an inhibitor of EGFR tyrosine kinase .
DESCRIPTION This is compound 1 in . (GtoPdb)
DESCRIPTION EGFR tyrosine kinase inhibitor (LOPAC library)
DESCRIPTION PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] (TargetMol Bioactive Compound Library)
Compound Sets
7
Cayman Chemical Bioactives
42420
DrugMAP
DMSOUI0
DrugMatrix
Guide to Pharmacology
5917
LOPAC library
MedChem Express Bioactive Compound Library
HY-16668
TargetMol Bioactive Compound Library
0672-0572
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
184.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.13
TPSA
56.81
Fraction CSP3
0.09
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
1
ene_cyano_A(19)
[#6](-[#6]#[#7])(-[#6]#[#7])=[#6]-c:1:c:c:c:c:c:1
PAINS Family B
Custom attributes
(extracted from source data)
Selectivity
EGFR
Target
Interleukin Related
Pathway
Immunology/Inflammation
Source data