General
Preferred name
EMATE
Synonyms
Estrone 3-O-sulfamate ()
CT-2251 ()
Estrone O-sulfamate ()
P&D ID
PD119270
CAS
148672-09-7
Tags
available
covalent binder
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Estrone O-sulfamate (Estrone 3-O-sulfamate) is a potent steroid sulfatase (STS) inhibitor. Estrone O-sulfamate has inhibitory activity for STS in a placental microsomes (P.M.) preparation and in MCF-7 cells with IC50 values of 18 nM and 0.83 nM, respectively. Estrone O-sulfamate can be used for the research of cancer[1].
PRICE
517
DESCRIPTION
Estrone O-sulfamate (Estrone 3-O-sulfamate) is a potent inhibitor of steroid sulfatase (STS), showing IC50 values of 18 nM as a placental microsomal inhibitor (P.M.) and 0.83 nM in MCF-7 cells. Estrone O-sulfamate can be used to study cancer.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
0
Compound Sets
7
CovalentInDB
DrugMAP
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
97
Molecular Weight
349.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
1
cLogP
2.69
TPSA
86.46
Fraction CSP3
0.61
Chiral centers
4.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
STS
steroid sulfatase
Member status
member
MOA
Estrogen Receptor (ER) Agonists
Steryl Sulfatase Inhibitors
Pathway
Metabolic Enzyme/Protease
Source data
