General
Preferred name
ENNIATIN B1
Synonyms
P&D ID
PD017869
CAS
19914-20-6
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 Enniatin B1 is a Fusarium mycotoxin. Enniatin B1 inhibits acyl-CoA: cholesterol acyltransferase (ACAT) activity with an IC50 of 73 ¦ÌM in an enzyme assay using rat liver microsomes[1]. Enniatin B1 crosss the blood-brain barrier[2]. Enniatin B1 decreases the activation of ERK (p44/p42). Enniatin B1 inhibits moderately TNF-¦Á-induced NF-¦ÊB activation[3].
Compound Sets
2
Cayman Chemical Bioactives
17245
MedChem Express Bioactive Compound Library
HY-N3807
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
653.43
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
1
Aromatic Ring Count
0
cLogP
3.54
TPSA
139.83
Fraction CSP3
0.82
Chiral centers
7.0
Largest ring
18.0
QED
0.3
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Acyltransferase
ERK
NF-κB
Pathway
MAPK/ERK Pathway
Metabolic Enzyme/Protease
Stem Cell/Wnt
NF-¦ÊB
Source data