General
Preferred name
Asperglaucide
Synonyms
AURANTIAMIDE ACETATE ()
P&D ID
PD126697
CAS
56121-42-7
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 Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of inflammatory diseases[1][2].
PRICE 321
DESCRIPTION Aurantiamide acetate (Asperglaucide) was isolated from the fermentation broth of Aspergillus penicilloides for the first time. Aurantiamide acetate is a selective and orally active cathepsin inhibitor. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of inflammatory diseases[1][2]. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
3
Cayman Chemical Bioactives
28499
MedChem Express Bioactive Compound Library
HY-N2905
TargetMol Bioactive Compound Library
TJS2216
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
444.2
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
3
cLogP
3.32
TPSA
84.5
Fraction CSP3
0.22
Chiral centers
2.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Cathepsin
Cathepsin B
Cathepsin L
Pathway
Proteases/Proteasome
Metabolic Enzyme/Protease
Source data