General
Preferred name
Ro-3306
Synonyms
RO3306 ()
P&D ID
PD039000
CAS
872573-93-8
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)
PRICE 78
DESCRIPTION The selectivity profile of RO3306 (structure reported in ) suggests that is the most suitable CDK1 chemical probe to be reported (as of October 2018) . Additional non-CDK off-targets that should be considered when interpreting experimental results include PKCĪ“ (Ki 318 nM), SGK (Ki 497 nM) and ERK (Ki 1980 nM) . (GtoPdb)
DESCRIPTION RO-3306 is a selectivity ATP-competitive CDK1 inhibitor (Ki: 20 nM). The selectivity of RO-3306 for CDK1 is >15-fold higher than a diverse panel of human kinases. (TargetMol Bioactive Compound Library)
Compound Sets
4
EUbOPEN Chemogenomics Library
EUB0001580
Guide to Pharmacology
10095
LINCS compound set
10104-101
TargetMol Bioactive Compound Library
T2356
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
351.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
4.06
TPSA
54.35
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
1
ene_five_het_B(90)
[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
CDK
CDK1
ERK
PKA
PKCĪ“
SGK
Pathway
Cell Cycle/Checkpoint
Chromatin/Epigenetic
Cytoskeletal Signaling
MAPK
Metabolism
Tyrosine Kinase/Adaptors
Recommended Cell Concentration
None
Source data