General
Preferred name
ALK inhibitor 1
Synonyms
Compound 17 ()
P&D ID
PD012594
CAS
761436-81-1
Tags
available
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 ALK inhibitor 1 (compound 17) is a potent pyrimidin ALK inhibitor. ALK inhibitor 1 is a potent inhibitor of testis-specific serine/threonine kinase 2 (TSSK2; IC50=31 nM) and focal adhesion kinase (FAK; IC50=2 nM)[1].
PRICE 192
DESCRIPTION ALK inhibitor 1 is a novel and selective inhibitor for the ALK kinase. (BOC Sciences Bioactive Compounds)
DESCRIPTION ALK inhibitor 1 is a selective ALK kinase inhibitor. (TargetMol Bioactive Compound Library)
Compound Sets
4
BOC Sciences Bioactive Compounds
alk-inhibitor-1-cas-761436-81-1-item-84-459596
MedChem Express Bioactive Compound Library
HY-15357
Selleckchem Bioactive Compound Library
alk-inhibitor-1
TargetMol Bioactive Compound Library
T10285
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
561.12
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
3.39
TPSA
111.72
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
ALK
FAK
IGF-1R
Anaplastic lymphoma kinase (ALK)
ALK,FAK,Serine/threonin kinase
Pathway
Angiogenesis
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Source data