General
Preferred name
N-Valeric Acid
Synonyms
N-pentanoic acid ()
pentanoic acid ()
Butane-1-carboxylic acid ()
VALERIC ACID ()
Pentanoic Acid-d9 ()
P&D ID
PD008360
CAS
109-52-4
115871-50-6
Tags
available
drug candidate
Drug indication
Discovery agent
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
102.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
1.26
TPSA
37.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
TGF-beta/Smad
Stem Cell/Wnt
Cell Cycle/DNA Damage
Cell Cycle/Checkpoint
Target
ROCK
Endogenous Metabolite
Human Endogenous Metabolite
Source data
