General
Preferred name
Isovaleric Acid
Synonyms
3-Methylbutyric acid ()
Isopentanoic acid ()
β-methylbutyric acid ()
3-METHYLBUTANOIC ACID ()
Delphinic acid ()
isovaleric acid, Delphinic acid, 3-Methylbutyric acid, Isopentanoic acid, ??methylbutyric acid ()
Isovaleric acid, Delphinic acid, 3-Methylbutyric acid, Isopentanoic acid, ¦Â-methylbutyric acid ()
P&D ID
PD007270
CAS
503-74-2
92634-50-9
35915-22-1
Tags
available
drug candidate
Drug Status
experimental
Probe control
Probe control not defined
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
Isovaleric acid is an oral active short-chain fatty acid that inhibits osteoclast differentiation by stimulating AMPK phosphorylation and promotes colonic smooth muscle relaxation by activating the cAMP/PKA pathway. Isovaleric acid can be used in research on skeletal diseases (such as osteoporosis) and intestinal disorders[1][2][3][4].
PRICE
29
DESCRIPTION
Isovaleric acid is a naturally occurring aroma compound found in Bartlett pear brandies, vanilla beans, rape-honey and banana. It inhibits KCNQ2 (potassium voltage-gated channel subfamily kqt member 2), KCNQ3, KCNQ4 with EC50 values of 0.34, 0.5 and 16.2 µM, respectively.
(Enamine Bioactive Compounds)
DESCRIPTION
Isovaleric acid (Delphinic acid) is a naturally occurring aroma compound found in Bartlett pear brandies, vanilla beans, rape-honey, and banana.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
DrugBank
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Molecular Weight
102.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
1.12
TPSA
37.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
AMPK
PKA
Pathway
Metabolism
Epigenetics
Metabolic Enzyme/Protease
PI3K/Akt/mTOR
Stem Cell/Wnt
TGF-beta/Smad
Source data
