General
Preferred name
BI-9321
Synonyms
BI9321 trihydrochloride ()
BI9321 3HCl ()
BI 9321 ()
BI-9321 (trihydrochloride) ()
BI-9321 trihydrochloride ()
P&D ID
PD099157
CAS
2387510-87-2
Tags
free of charge
available
probe
Probe info
Probe type
P&D approved
experimental probe
Probe selectivity
protein-selective
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
BI-9321 trihydrochloride is a potent, selective and cellular active nuclear receptor-binding SET domain 3 (NSD3)-PWWP1 domain antagonist with a Kd value of 166 nM. BI-9321 trihydrochloride is inactive against NSD2-PWWP1 and NSD3-PWWP2. BI-9321 trihydrochloride specifically disrupts histone interactions of the NSD3-PWWP1 domain with an IC50 of 1.2 ¦ÌM in U2OS cells[1].
PRICE
178
MOA
Antagonist
(Chemical Probes.org)
DESCRIPTION
BI-9321 was discovered in collaboration with the Structural Genomics Consortium (SGC). It represents a potent, selective and cellular active antagonist of the NSD3-PWWP1 domain. Initial binders to the proposed methyl-lysine binding site of the PWWP1 domain of NSD3 were identified applying fragment based screening (FBS) methods. Consecutively, structure-based optimization yielded in BI-9321, a potent antagonist of the PWWP1 (Pro-Trp-Trp-Pro) domain of NSD3 (Nuclear Receptor Binding SET Domain 3). High selectivity of BI-9321 was confirmed using in vitro assays and quantitative chemical proteomics. Cellular target engagement was confirmed with FRAP (Fluorescence Recovery After Photobleaching) and BRET (Bioluminescence Resonance Energy Transfer) at 1 µM. Treatment of MOLM-13 cells with BI-9321 results into the downregulation of Myc mRNA in cells and reduced proliferation which cannot be observed with the available negative control BI-9466.
(opnMe Portal)
DESCRIPTION
CK1 inhibitor; displays selectivity for CK1delta and CK1epsilon
(Tocris Bioactive Compound Library)
DESCRIPTION
BI-9321 trihydrochloride (BI9321 trihydrochloride) is a selective and potent NSD3-PWWP1 antagonist that downregulates Myc messenger RNA expression and reduces proliferation in MOLM-13 cells.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
10
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
EUbOPEN Chemogenomics Library
High-quality chemical probes
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
opnMe Portal
SGC Probes
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
360.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
4
cLogP
4.52
TPSA
56.73
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Histone methyltransferase
NSD3-PWWP1
NSD3
Primary Target
Other Lysine Methyltransferases
MOA
Inhibitor
NSD3 inhibitor
Member status
member
Pathway
Epigenetics
Chromatin/Epigenetic
Protein Family
Methyl Lysine Binder
Target class
Epigenetic
Target subclass
Methyltransferase
Control
BI-9466
Recommended Cell Concentration
1 uM
Source data
