General
Preferred name
BAY1217389
Synonyms
cpd 79 ()
8RH ()
BAY-1217389 ()
BAY 12-17389 ()
BAY 1217389 ()
BAY 1217389 ()
P&D ID
PD057592
CAS
1554458-53-5
Tags
available
probe
drug candidate
Drug Status
investigational
Max Phase
1.0
Drug indication
Cancer
Probe info
Probe type
experimental probe
Probe sources
Chemical Probes.org
High-quality chemical probes
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
COMMENT While this compound is highly active at nanomolar concentrations in cells, more information is needed to establish a suitable in vivo dose. Mar 20 2021 - 9:36am; I recommend to confirm/disprove biochemical off targets ie PDGFR, KIT and possibly CLK1, CLK2, CLK4, JNK1, JNK2, JNK3, LATS1, MAK, MAPKAP2. Apr 14 2021 - 9:00am
DESCRIPTION BAY 1217389 is a potent, and selective inhibitor of the monopolar spindle 1 (MPS1) kinase with an IC50 value less than 10 nM.
PRICE 123
DESCRIPTION BAY1217389 is an oral TTK protein kinase inhibitor that was designed for anticancer potential . TTK is also known as Monopolar spindle 1 (Mps1). (GtoPdb)
MOA Inhibitor (Chemical Probes.org)
DESCRIPTION BAY-1217389, an imidazopyridazin derivative, has been found to be a TTK protein inhibitor that could probably be effective as an antineoplastic agent and also be a potentialcell death stimulant. It is still under Phase I trail for solid tumor. (BOC Sciences Bioactive Compounds)
DESCRIPTION BAY 1217389 is an effective and selective inhibitor of the monopolar spindle 1 (MPS1) kinase (IC50<10 nM). (TargetMol Bioactive Compound Library)
Cell lines
3
Organisms
0
Compound Sets
13
BOC Sciences Bioactive Compounds
bay-1217389-cas-1554458-53-5-item-475863
Cayman Chemical Bioactives
21660
ChEMBL Drugs
CHEMBL4456085
Chemical Probes.org
bay1217389
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EUbOPEN Chemogenomics Library
EUB0000634
Guide to Pharmacology
12705
High-quality chemical probes
PD057592
MedChem Express Bioactive Compound Library
HY-12859
ReFrame library
Selleckchem Bioactive Compound Library
bay-1217389
TargetMol Bioactive Compound Library
T3434
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
561.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
5
Aromatic Ring Count
4
cLogP
6.04
TPSA
89.78
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Mps1
TTK
MOA
kinase inhibitor
Orthogonal probe
CFI-402257
Pathway
Cell Cycle/DNA Damage
cytoskeleton
Cytoskeletal Signaling
Target class
Kinase
Target subclass
Ser/Thr Kinase
Recommended Cell Concentration
1 uM
Source data