General
Preferred name
Chromanol
Synonyms
PMC ()
2,2,5,7,8-Pentamethyl-6-Chromanol ()
APC-100 ()
NSC-226236 ()
2,2,5,7,9-pentamethyl-6-chromanol ()
Chromane c1 ()
P&D ID
PD058227
CAS
950-99-2
Tags
available
nuisance
drug candidate
Drug indication
Prostate cancer
Drug Status
investigational
Max Phase
1.0
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 APC-100 is an orally available, vitamin E derivative and androgen receptor (AR) antagonist with potential anti-oxidant, chemopreventative and antineoplastic activity. APC-100 binds to ARs in target tissues thereby inhibiting androgen-induced receptor activation and facilitating the formation of inactive complexes that cannot be translocated to the nucleus. APC-100 may ultimately lead to an inhibition of growth in both AR-dependent and AR-independent prostate tumor cells. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
9
BOC Sciences Bioactive Compounds
apc-100-cas-950-99-2-item-84-200503
ChEMBL Drugs
CHEMBL37676
Drug Repurposing Hub
DrugBank
DB13111
DrugMAP
DM71I53
MedChem Express Bioactive Compound Library
HY-111024
Nuisance compounds in cellular assays
ReFrame library
TargetMol Bioactive Compound Library
T14008
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
220.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
3.42
TPSA
29.46
Fraction CSP3
0.57
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
1
Singlet oxygen quenching
Nuisance compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Vitamin D Related/Nuclear Receptor
Target
Androgen Receptor
AR
MOA
androgen receptor antagonist, anti-inflammatory agent
Source data