General
Preferred name
MONASTROL
Synonyms
(??)-Monastrol ()
(±)-Monastrol ()
(¡À)-Monastrol ()
P&D ID
PD019039
CAS
329689-23-8
254753-54-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 Selective inhibitor of mitotic kinesin Eg5 (Tocriscreen Plus)
DESCRIPTION Inhibitor of 5-lipoxygenase-activating protein (FLAP) (Tocris Bioactive Compound Library)
DESCRIPTION Selective inhibitor of mitotic kinesin Eg5 (Tocriscreen Total)
DESCRIPTION Monastrol is a kinesin Eg5 inhibitor. Induction of apoptosis by monastrol is independent of the spindle checkpoint. Monastrol binds to the KSP-ADP complex, forming a KSP-ADP-monastrol ternary complex, which cannot bind to microtubules productively and cannot undergo further ATP-driven conformational changes. (BOC Sciences Bioactive Compounds)
Cell lines
50
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
A11976
BOC Sciences Bioactive Compounds
monastrol-cas-254753-54-3-103720
Cayman Chemical Bioactives
15044
DrugMAP
DMLSEJN
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
HY-101071A
Selleckchem Bioactive Compound Library
monastrol
TargetMol Bioactive Compound Library
T4048
Tocris Bioactive Compound Library
1305
Tocriscreen Plus
1305
Tocriscreen Total
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
292.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
1.75
TPSA
70.59
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Pathway
Cytoskeletal Signaling
Apoptosis
Cell Cycle/DNA Damage
cytoskeleton
Target
Eg5
Primary Target
Kinesin
MOA
Inhibitor
Source data