General
Preferred name
AZD3988
Synonyms
AZD 3988 ()
cpd 53 ()
AZD-3988 ()
P&D ID
PD038251
CAS
892489-52-0
Tags
available
probe
Probe info
Probe type
P&D approved
experimental probe
Probe selectivity
protein-selective
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
5
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)
COMMENT
Overall, AZD3988 has very favourable probe properties to study DGAT-1. The probe shows a clear mechanism of action and engages with the target at low nanomolar concentrations, exhibits selectivity for DGAT-1 over DGAT-2 in vitro in cellulo, and in vivo, and there are no common off-target liabilities observed (hERG, P450s). Additionally, the physicochemical properties are fairly drug-like for a probe molecule: 3 H-bond donors, 8 H-bond acceptors, molecular weight of 456.45 Da, logD = 3.0, 7 rotatable bonds, and a calculated tPSA of 112.38 Å2. Jan 7 2021 - 11:39am
DESCRIPTION
AZD3988 is an orally active diacylglycerol acyl transferase-1 (DGAT-1) inhibitor. AZD3988 has excellent DGAT-1 (human) potency with an IC50 value of 0. 6 nM. AZD3988 can be used for the research of metabolic diseases such as diabetes, obesity[1].
PRICE
184
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
Potent and selective DGAT-1 inhibitor
(Tocriscreen Plus)
DESCRIPTION
AZD3988 is an orally active and highly potent inhibitor of diacylglycerol acyltransferase-1 (DGAT-1) for the study of diabetes and obesity.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Potent and selective PI 3-Kbeta inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
11
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EUbOPEN Chemogenomics Library
High-quality chemical probes
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Molecular Weight
456.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
5.09
TPSA
117.35
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Target
DGAT1
Acyltransferase
Primary Target
Diacylglycerol O-Acyltransferase
MOA
Inhibitor
diacylglycerol kinase inhibitor
Pathway
Metabolism
Metabolic Enzyme/Protease
Orthogonal probe
GSK2973980A
Target subclass
Diacylglycerol O-acyltransferase
Recommended Cell Concentration
None
Source data
