General
Preferred name
SGC0946
Synonyms
SGC 0946 ()
P&D ID
PD010633
CAS
1561178-17-3
Tags
available
probe
drug candidate
Drug indication
Discovery agent
Probe info
Probe type
calculated probe
experimental probe
P&D approved
Probe selectivity
family-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
Protein methyltransferases chemical toolbox
SGC Probes
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
1
No orthogonal probes found
Similar probes
6
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)
COMMENT
The minimum time required for reduction of in-cell biomarker activity is 4 days for Molm13 MLL cells (but 7 days for A431 cells). The IC50 is ~ 3 nM for reduction of H3K79 methylation in A431 cells. Jun 16 2016 - 5:36pm; This compound shows single digit nanomolar potency in cellular assays measuring reduction of H3K79me2. Downstream effects appear to require a higher concentration (1 - 5 micromolar). While concerns that this may be off-target activity are somewhat ameliorated by the clean selectivity profile, and similar activity for other probes, the availability of a close analogue without DOT1L activity as a negative control, and/or a DOT1L inhibitor of a different chemical class would add further confidence. Jun 30 2016 - 4:23am; SGC0649 is now available as a control compound. It is the 4-t-butylphenylamide as opposed to the urea in SGC0946 Aug 17 2016 - 8:59pm; The inactive control SGC-0649 should only be used but at relatively low concentrations as it still retains some DOT1L activity (IC50 = 390 nM). Aug 29 2016 - 3:40pm
DESCRIPTION
SGC0946 is a brominated analogue of and is a DOT1L inhibitor . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
(GtoPdb)
PRICE
130
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
Potent Nek2 inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
Highly potent and selective DOT1L inhibitor; cell permeable
(Tocriscreen Plus)
DESCRIPTION
SGC0946 is a potent and selective inhibitor of DOT1L, which potently and selectively kills cells containing an MLL translocation. SGC0946 inhibits DOT1L with an IC50 of 0.3nM in a radioactive enzyme assay and is over 100-fold selective for other HMTs.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
SGC0946 is a highly effective and specific DOT1L methyltransferase inhibitor (IC50: 0.3 nM); selectively kill mixed lineage leukemia cells.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
20
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
High-quality chemical probes
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
Protein methyltransferases chemical toolbox
Selleckchem Bioactive Compound Library
SGC Probes
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
Tool Compound Set
Welcome Trust Cancer Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
617.23
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
3.61
TPSA
150.79
Fraction CSP3
0.54
Chiral centers
4.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Pathway
chromatin histone methylation
Chromatin/Epigenetic
Target
DOT1L (Q8TEK3)
Histone-lysine N-methyltransferase, H3 lysine-79 specific
DOT1L
Histone methyltransferase
DOT1,Histone Methyltransferase
Primary Target
Other Lysine Methyltransferases
MOA
Inhibitor
DOT1L inhibitor
histone lysine methyltransferase inhibitor
Member status
member
Target class
Epigenetics
Epigenetic
Orthogonal probe
EPZ-5676
Protein Family
Histone Methyltransferase
Target subclass
Protein methyltransferase
Control
SGC0649
Recommended Cell Concentration
1 uM
Source data
