General
Preferred name
K-00546
Synonyms
Cdk1/2 inhibitor III ()
cmpd 3n ()
K00546 ()
K 00546 ()
P&D ID
PD005574
CAS
443798-55-8
443798-47-8
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 K00546 is a potent CDK1 and CDK2 inhibitor with IC50s of 0.6 nM and 0.5 nM for CDK1/cyclin B and CDK2/cyclin A, respectively. K00546 is also a potent CDC2-like kinase 1 (CLK1) and CLK3 inhibitor with IC50s of 8.9 nM and 29.2 nM, respectively[1][2][3].
PRICE 379
DESCRIPTION K 00546 is a potent inhibitor of cellular cyclin kinases (CDK1 and CDK2) and CDC2-like kinases (CLK1 and CLK3) used in the study of cancer and immune-related diseases.
DESCRIPTION Cdk1/2 Inhibitor III is a selective inhibitor of Cdk1/2 with an IC50 of 2.1 μM for CDK1/cyclin B. It is a cell-permeable triazolo-diamine compound with anti-proliferative properties in various human cancer cells (IC50 = 20 nM, 35 nM and 92 nM in HCT-116, HeLa and A375 cells, respectively). (BOC Sciences Bioactive Compounds)
Cell lines
3
Organisms
2
Compound Sets
7
BOC Sciences Bioactive Compounds
cdk1-2-inhibitor-iii-cas-443798-47-8-292156
Cayman Chemical Bioactives
18859
CDK inhibitor database (CDKiDB)
DrugBank
DB07664
DrugMAP
DMS62T0
Guide to Pharmacology
5946
MedChem Express Bioactive Compound Library
HY-103647
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
425.05
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
1.77
TPSA
140.95
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
PI3K/Akt/mTOR
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Solubility
Soluble in DMSO
Target
CDK
GSK-3
VEGFR
Source data