General
Preferred name
NSC 109555 ditosylate
Synonyms
NSC 109555 dimesylate ()
NSC 109555 ()
P&D ID
PD070236
CAS
66748-43-4
13284-07-6
1048364-29-9
15427-93-7
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 NSC 109555 is a potent and selective inhibitor of checkpoint kinase 2 (Chk2), displaying no effect against other kinases. It inhibits H1 phosphorylation and attenuates mitochondrial ATP synthesis. NSC 109555 can be used in cancer therapy. (BOC Sciences Bioactive Compounds)
DESCRIPTION VEGFR inhibitor. Also inhibits KIT, RET, MET and FLT3 (Tocris Bioactive Compound Library)
DESCRIPTION NSC-109555 Ditosylate is an ATP-competitive Chk2 inhibitor with IC50 value of 0.2 μM. It acts by inhibiting histone H1 phosphorylation and attenuating mitochondrial ATP synthesis. It is an antileukemic agent. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
4
BOC Sciences Bioactive Compounds
4-4-diacetyldiphenylurea-bis-guanylhydrazone-ditosylate-cas-15427-93-7-item-129575
nsc-109555-ditosylate-cas-66748-43-4-item-169336
Cayman Chemical Bioactives
19811
Novartis Chemogenetic Library (NIBR MoA Box)
Tocris Bioactive Compound Library
3034
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
408.21
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
8
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
1.74
TPSA
189.65
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Checkpoint Kinases
MOA
Inhibitor
Ribonuclease P Inhibitors
Checkpoint Kinase 2 (Chk2) Inhibitors
Member status
member
Source data