General
Preferred name
M77976
Synonyms
WAY-270444 ()
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol ()
P&D ID
PD004475
CAS
394237-61-7
Tags
drug candidate
available
Drug Status
experimental
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 M77976 is a specific ATP-competitive inhibitor of PDK4 (pyruvate dehydrogenase kinase isoforms 4), with an IC50 of 648 ¦ÌM. M77976 is potential for the research of obesity and diabetes[1].
PRICE 99
DESCRIPTION M77976 is a selective ATP-competitive inhibitor of pyruvate dehydrogenase kinase 4 (PDK4) with an inhibitory effect on PDK4, having an IC50 value of 648 ??M. It is used for research related to obesity and diabetes.
DESCRIPTION M77976 is a selective ATP-competitive inhibitor of pyruvate dehydrogenase kinase 4 (PDK4) with an inhibitory effect on PDK4, having an IC50 value of 648 μM. It is used for research related to obesity and diabetes. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
3
DrugBank
DB08356
MedChem Express Bioactive Compound Library
HY-114702
TargetMol Bioactive Compound Library
T15944
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
296.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.47
TPSA
78.37
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.69
QED
0.69
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
PDHK
PDK4
Pathway
PI3K/Akt/mTOR signaling
Metabolic Enzyme/Protease
Source data