General
Preferred name
ATRARIC ACID
Synonyms
Methyl atrarate ()
P&D ID
PD158662
CAS
136218-95-6
4707-47-5
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 Atraric acid (Methyl atrarate) is a specific androgen receptor (AR) antagonist with anti-inflammatory and anticancer effects. Atraric acid represses the expression of the endogenous prostate specific antigen gene in both LNCaP and C4-2 cells. Atraric acid can also inhibit the synthesis of NO and cytokine, and suppress the MAPK-NF¦ÊB signaling pathway. Atraric acid can be used to research prostate diseases and inflammatory diseases[1][2].
PRICE 29
DESCRIPTION Atraric acid derivatives as a new chemical lead structure for novel therapeutic compounds as AR antagonists, that can be used for prophylaxis or treatment of prostatic diseases. It inhibits PTP1B activity in a dose-dependent manner with IC50 values of 51.5 uM, suggest that atraric acid has potential to treat diabetes. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N2908
Selleckchem Bioactive Compound Library
atraric-acid
TargetMol Bioactive Compound Library
TCS1372
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
196.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.5
TPSA
66.76
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Androgen Receptor
PTP1B
NF-κB
NO Synthase
p38 MAPK
phosphatase
Pathway
Immunology/Inflammation
MAPK/ERK Pathway
Vitamin D Related/Nuclear Receptor
Endocrinology/Hormones
Metabolism
NF-¦ÊB
Source data