General
Preferred name
ACOLBIFENE
Synonyms
EM-652 ()
Acolbifene (hydrochloride) ()
EM-652 (hydrochloride) ()
SCH 57068 (hydrochloride) ()
SCH 57068 ()
ACOLBIFENE HYDROCHLORIDE ()
SCH-57068 HYDROCHLORIDE ()
SCH57068.HCL ()
Acolbifene hcl ()
SCH57068 HCL ()
SCH-57068 ()
Acolbifeno ()
SCH57068 ()
P&D ID
PD076969
CAS
182167-02-8
252555-01-4
182167-04-0
Tags
available
drug candidate
Drug indication
Breast cancer
Drug Status
investigational
Max Phase
3.0
2.0
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 Acolbifene (EM-652) hydrochloride, an active metabolite of EM800, is an orally active, cancer-preventing selective estrogen receptor modulator (SERM). Acolbifene (EM-652) hydrochloride inhibits estradiol (E2)-induced transcriptional activity of ER¦Á (IC50=2 nM) and ER¦Â (IC50=0.4 nM). Acolbifene (EM-652) hydrochloride exerts a potent and pure antiestrogenic action in the mammary gland and uterus. Anticarcinogenic properties[1][2][3][4][5].
DESCRIPTION Acolbifene (EM-652), the active metabolite of EM800, is an orally active pure antiestrogen and selective estrogen receptor antagonist. Acolbifene (EM-652) inhibits estradiol (E2)-induced transcriptional activity of ER¦Á (IC50 = 2 nM) and ER¦Â (IC50 = 0.4 nM). Acolbifene (EM-652) possesses potent and pure anticarcinogenic properties[1][2][3][4][5].
PRICE 45
DESCRIPTION Acolbifene (SCH 57068) is a selective antagonist of estrogen receptors with IC50s of 2 nM and 0.4 nM for estradiol-induced transcriptional activity of ER?? and ER??. Acolbifene shows an anticarcinogenic property.
DESCRIPTION Acolbifene, also known as EM-652, or SCH-57068, is a selective estrogen receptor modulator (SERM). Acolbifene is currently being studied in the prevention of breast cancer in women at high risk of breast cancer. EM-652 is the compound having the highest affinity for the estrogen receptor, including estradiol. It has higher affinity for the ER than ICI 182780, hydroxytamoxifen, raloxifene, droloxifene and hydroxytoremifene. EM-652 was also the most potent inhibitor of the percentage of cycling cancer cells. (BOC Sciences Bioactive Compounds)
Compound Sets
11
BOC Sciences Bioactive Compounds
acolbifene-cas-182167-02-8-item-84-462643
Cayman Chemical Bioactives
23931
ChEMBL Drugs
CHEMBL2105965
CHEMBL68055
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB16080
DrugMAP
DM3UQ9K
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL68055
MedChem Express Bioactive Compound Library
HY-16023
HY-16023A
NURSA ligand set
nursa/index.jsf?doi=10.1621%2F8CPK5A487Z
ReFrame library
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
457.23
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
6.03
TPSA
62.16
Fraction CSP3
0.31
Chiral centers
1.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Estrogen Receptor antagonist
Target
Estrogen Receptor/ERR
Pathway
Vitamin D Related/Nuclear Receptor
Solubility
Soluble in DMSO
Source data