General
Preferred name
REVERSINE
Synonyms
P&D ID
PD005329
CAS
656820-32-5
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 Reversine is a novel class of ATP-competitive Aurora kinase inhibitor with IC50s of 400, 500 and 400 nM for Aurora A, Aurora B and Aurora C, respectively.
PRICE 73
DESCRIPTION Reversine is a small molecule developed by the group of Peter G. Schultz, used for stem cell dedifferentiation. Reversine is also a novel Aurora kinases inhibitor that inhibits colony formation of human acute myeloid leukemia cells. Reversine inhibits the phosphorylation of histone H3, a direct downstream target of Aurora kinases. (BOC Sciences Bioactive Compounds)
DESCRIPTION Reversine, a small synthetic purine analogue (2, 6-disubstituted purine), is a potent inhibitior of Aurora A/B/C(IC50s=150-500 nM). (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
0
Compound Sets
12
AdooQ Bioactive Compound Library
A13250
Axon Medchem Screening Library
1629
BOC Sciences Bioactive Compounds
reversine-cas-656820-32-5-item-84-211576
Cayman Chemical Bioactives
10004412
Drug Repurposing Hub
DrugBank
DB07340
DrugMAP
DMWDNOK
MedChem Express Bioactive Compound Library
HY-14711
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
reversine
TargetMol Bioactive Compound Library
T1825
ZINC Tool Compounds
ZINC000003620786
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
393.23
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
3
cLogP
3.68
TPSA
90.99
Fraction CSP3
0.48
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Cell Cycle/Checkpoint
Chromatin/Epigenetic
GPCR/G protein
Neuroscience
Cell Cycle/DNA Damage
Epigenetics
Member status
virtual
MOA
Aurora-B (ARK2) Kinase Inhibitors
Antimitotic Drugs
Aurora-A (ARK1) Kinase Inhibitors
Adenosine A3 Antagonists
Differentiation Inhibitors
Aurora Kinase inhibitor
Target
AURKB, INCENP, MAP2K1
Mps1 inhibitor
Aurora Kinase
Adenosine Receptor,Aurora Kinase
A3
Aurora A
Aurora B
Aurora C
Source data