General
Preferred name
ISOXAZOLE
Synonyms
1,2-oxazole ()
P&D ID
PD098868
CAS
288-14-2
Tags
available
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 Isoxazole is a member of the five-membered heterocycle drug scaffold. Isoxazole has been used as a BET bromodomain inhibitor and can improve ¦Â-cell function in a diabetic mouse model. Isoxazole and its derivatives exhibit broad biological activities (such as antimicrobial, antibacterial, antifungal, antiviral, anticancer, anti-inflammatory, immunomodulatory, analgesic, anti-tuberculosis, and anti-diabetic effects). For example, the bicyclic Isoxazole can act as an HSP90 inhibitor, and the tricyclic Isoxazole is promising as a selective multidrug resistance protein (MRP1) inhibitor?[1][2][3][4][5].
PRICE 29
DESCRIPTION Isoxazole (1,2-oxazole) is the inhibitor of acetylcholinesterase (AChE). The ligands of Isoxazole bind to and inhibit the Sxc- antiporter. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W010649
TargetMol Bioactive Compound Library
T7500
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
69.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
0.67
TPSA
26.03
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.45
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
AChR
antibiotic
ATP-binding cassette (ABC) transporters
Bacterial
Epigenetic Reader Domain
Fungal
HSP
MOA
AChR inhibitor
Pathway
Neuroscience
Anti-infection
Cell Cycle/DNA Damage
Epigenetics
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Source data