General
Preferred name
AILANTHONE
Synonyms
¦¤13-Dehydrochaparrinone ()
Δ13-Dehydrochaparrinone ()
P&D ID
PD100427
CAS
981-15-7
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 Ailanthone (¦¤13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69?nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309?nM).
PRICE 99
DESCRIPTION Ailanthone (AIL) is a natural compound derived from the tree Ailanthus altissima and has anti-hepatocellular carcinoma (HCC) properties. It can induce G0/G1 phase cell cycle arrest by downregulating the expression of cyclins and CDKs, while upregulating the expression of p21 and p27. Additionally, Ailanthone is a potent androgen receptor (AR) inhibitor, capable of inhibiting both the full-length androgen receptor (IC50: 69 nM) and constitutively active splice variants (IC50: 309 nM). (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
3
Cayman Chemical Bioactives
29194
MedChem Express Bioactive Compound Library
HY-N1943
TargetMol Bioactive Compound Library
TQ0209
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
376.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
0
cLogP
0.09
TPSA
113.29
Fraction CSP3
0.7
Chiral centers
9.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Androgen Receptor
Pathway
Vitamin D Related/Nuclear Receptor
Endocrinology/Hormones
Source data