General
Preferred name
BUTYL ALCOHOL
Synonyms
BUTANOL ()
N-Butanol ()
1-Hydroxybutane ()
N-butyl alcohol ()
NSC-62782 ()
FEMA NO. 2178 ()
1-Butanol ()
P&D ID
PD008514
CAS
71-36-3
35296-72-1
107569-51-7
Tags
drug candidate
available
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
1-Butanol produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a human metabolite and a mouse metabolite. It is a primary alcohol, a short-chain primary fatty alcohol. 1-Butanol inhibits glycine receptor subunit alpha-1 function, IC50 = 2 µM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Molecular Weight
74.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.78
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Antioxidant
Pathway
oxidation-reduction
Target
antioxidant
Source data
