General
Preferred name
(s)-CR8
Synonyms
S-CR8 ()
DS28(S-CR8) ()
P&D ID
PD038913
CAS
1084893-56-0
Tags
molecular glue
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
(S)-CR8 is the S-isomer of CR8. (S)-CR8 is a potent and selective CDK inhibitor with IC50s of 0.060, 0.080, 0.11, 0.12, and 0.15 ¦ÌM for CDK2/cyclin E, CDK2/cyclin A, CDK9/cyclin T, CDK5/p25, and CDK1/cyclin B, respectively. (S)-CR8 reduces SH-SY5Y cells survival (IC50 0.40?¦ÌM)[1].
DESCRIPTION
CR8 is a small molecule inhibitor of cyclin-dependent kinases . It is structurally related to (roscovitine). This entry is for the S isomer, which is less inhibitory at glycogen synthase kinase (GSK-3α/β) than the R isomer. Both isomers are equipotent across CDK1, 2, 5, 7, and 9.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
431.24
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
4.26
TPSA
100.78
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CDK
Pathway
Cell Cycle/DNA Damage
Source data
