General
Preferred name
estramustine
Synonyms
Ro-222296000 ()
NSC-89201 ()
RO 22-2296/000 ()
Ro-22-2296000 ()
P&D ID
PD009746
CAS
2998-57-4
Tags
natural product
drug
available
Drug Status
investigational
approved
Drug indication
Antineoplastic
Prostate cancer
Max Phase
Phase 3
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 Estramustine is a synthetic analogue combining estradiol and nornitrogen mustard. It is a DNA alkylating agent with antineoplastic activity.
Marketed formulations contain estramustine phosphate sodium (PubChem CID 444000). (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
14
ChEMBL Drugs
CHEMBL1575
Drug Repurposing Hub
DrugBank
DB01196
DrugBank Approved Drugs
DB01196
DrugCentral
1065
DrugCentral Approved Drugs
1065
DrugMAP
DMWTAOI
DrugMAP Approved Drugs
DMWTAOI
Guide to Pharmacology
9076
MedChem Express Bioactive Compound Library
HY-103711
NCATS Inxight Approved Drugs
35LT29625A
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
439.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
1
cLogP
5.18
TPSA
49.77
Fraction CSP3
0.7
Chiral centers
5.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
prostate cancer
Target
ESR1, ESR2, MAP1A, MAP2
Microtubule/Tubulin
MOA
DNA alkylating agent
Therapeutic Class
Anticancer Agents
Pathway
Cell Cycle/DNA Damage
cytoskeleton
Source data