General
Preferred name
ALLITINIB
Synonyms
AST1306 ()
AST-1306 (TsOH) ()
AST-1306 TsOH ()
AST-1306 ()
ALS 1306 ()
AST-1306 (TsOH)AST-6 ()
AST 1306 tosylate ()
Allitinib tosylate ()
AST-1306 TsOH, AST-6 ()
AST-1306 tosylate ()
ALL-3 ()
AST 1306 ()
AST-1306 (tosylate) ()
P&D ID
PD038945
CAS
897383-62-9
1050500-29-2
Tags
available
drug candidate
Drug indication
Lung cancer
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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 Allitinib tosylate (AST-1306 (TsOH)) is an orally active and irreversible EGFR and ErbB2 inhibitor with IC50s of 0.5 and 3 nM, respectively. Allitinib tosylate also inhibits ErbB4 with an IC50 of 0.8 nM. Allitinib tosylate is an anilino-quinazoline compound and has anti-cancer activity[1]
PRICE 211
DESCRIPTION Allitinib (AST-1306) is an irreversible inhibitor of the wild-type epidermal growth factor receptor (EGFR) and ErbB2 (HER2) . It also inhibits the mutant EGFRT790M/L858R. Allitinib was designed by Allist Pharmaceuticals to overcome acquired resistance to EGFR inhibitor therapy. It is active in vitro and in vivo.
Allitinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification. (GtoPdb)
DESCRIPTION Allitinib (AST-1306) is an orally active and irreversible EGFR and ErbB2 inhibitor with IC50s of 0.5 and 3 nM, respectively. Allitinib also inhibits ErbB4 with an IC50 of 0.8 nM. Allitinib is an anilino-quinazoline compound and has anti-cancer activity[1].
PRICE 170
DESCRIPTION AST-1306 is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R, more potent to ErbB2-overexpressing cells, 3000-fold selective for ErbB family than other kinases, (BOC Sciences Bioactive Compounds)
DESCRIPTION Allitinib tosylate (AST-1306) is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, respectively. (TargetMol Bioactive Compound Library)
DESCRIPTION AST-1306 functions as an irreversible inhibitor, most likely through covalent interaction with Cys797 and Cys805 in the catalytic domains of EGFR and ErbB2, respectively. It inactivated pathways downstream of these receptors and thereby inhibited the proliferation of a panel of cancer cell lines. It blocks phosphorylation of EGFR and also prevents downstream pathways. It also dose-dependently inhibits EGF-induced EGFR phosphorylation in the A549 cancer cell line. (BOC Sciences Bioactive Compounds)
DESCRIPTION Allitinib (AST-1306) (AST-1306) has anti-cancer activity,and it is an irreversible EGFR and ErbB2 inhibitor with IC50s of 0.5 and 3 nM, respectively. [1] (TargetMol Bioactive Compound Library)
Cell lines
9
Organisms
0
Compound Sets
17
AdooQ Bioactive Compound Library
A11155
Axon Medchem Screening Library
1986
BOC Sciences Bioactive Compounds
ast-1306-tosylate-cas-1050500-29-2-421384
ast-1306-cas-897383-62-9-item-84-424141
Cayman Chemical Bioactives
29708
ChEMBL Drugs
CHEMBL1947204
Drug Repurposing Hub
DrugBank
DB18840
DrugMAP
DMD83WO
EU-OPENSCREEN Bioactive Compound Library
EOS100761
EUbOPEN Chemogenomics Library
EUB0000616
Guide to Pharmacology
9912
LINCS compound set
10224-104
MedChem Express Bioactive Compound Library
HY-13427
HY-15375
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
allitinib-tosylate
ast-1306
TargetMol Bioactive Compound Library
T6331
T14336
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
448.11
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
4
cLogP
5.87
TPSA
76.14
Fraction CSP3
0.04
Chiral centers
0.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
EGFR
EGFR (T790M/L858R)
FLT1
HER2/ErbB2
ERBB2
ErbB4
EGFR, ERBB2
EGFR/Erb2 inhibitor
MOA
EGFR inhibitor
Pathway
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Angiogenesis
Tyrosine Kinase/Adaptors
Recommended Cell Concentration
None
Source data